id sid tid token lemma pos njb-45 1 1 microsoft microsoft PROPN njb-45 1 2 word word PROPN njb-45 1 3 review review PROPN njb-45 1 4 article article NOUN njb-45 1 5 1_depali.doc 1_depali.doc NUM njb-45 1 6 nepal nepal ADJ njb-45 1 7     SPACE njb-45 1 8 journal journal NOUN njb-45 1 9     SPACE njb-45 1 10 of of ADP njb-45 1 11     SPACE njb-45 1 12 biotechnology biotechnology NOUN njb-45 1 13 . . PUNCT njb-45 1 14         SPACE njb-45 2 1 dec dec PROPN njb-45 2 2 . . PROPN njb-45 2 3     SPACE njb-45 2 4 2011 2011 NUM njb-45 2 5 , , PUNCT njb-45 2 6     SPACE njb-45 2 7 vol vol NOUN njb-45 2 8 . . PUNCT njb-45 2 9     SPACE njb-45 2 10 2 2 NUM njb-45 2 11 , , PUNCT njb-45 2 12     SPACE njb-45 2 13 no no INTJ njb-45 2 14 . . PUNCT njb-45 2 15     SPACE njb-45 3 1 1 1 NUM njb-45 3 2 : : PUNCT njb-45 3 3     SPACE njb-45 3 4 53 53 NUM njb-45 3 5 – – PUNCT njb-45 3 6     SPACE njb-45 3 7 61 61 NUM njb-45 3 8                                                                                                                                                                                                                                             SPACE njb-45 3 9 biotechnology biotechnology NOUN njb-45 3 10     SPACE njb-45 3 11 society society NOUN njb-45 3 12     SPACE njb-45 3 13 of of ADP njb-45 3 14     SPACE njb-45 3 15 nepal nepal NOUN njb-45 3 16     SPACE njb-45 3 17 ( ( PUNCT njb-45 3 18 bsn bsn PROPN njb-45 3 19 ) ) PUNCT njb-45 3 20 , , PUNCT njb-45 3 21     SPACE njb-45 3 22 all all DET njb-45 3 23     SPACE njb-45 3 24 rights right NOUN njb-45 3 25     SPACE njb-45 3 26 reserved reserve VERB njb-45 3 27         SPACE njb-45 3 28 53 53 NUM njb-45 3 29         SPACE njb-45 3 30 review review NOUN njb-45 3 31     SPACE njb-45 3 32 article article NOUN njb-45 3 33     SPACE njb-45 3 34 an an DET njb-45 3 35     SPACE njb-45 3 36 overview overview NOUN njb-45 3 37     SPACE njb-45 3 38 of of ADP njb-45 3 39     SPACE njb-45 3 40 computational computational ADJ njb-45 3 41     SPACE njb-45 3 42 approaches approach VERB njb-45 3 43     SPACE njb-45 3 44 in in ADP njb-45 3 45     SPACE njb-45 3 46 structure structure NOUN njb-45 3 47     SPACE njb-45 3 48 based base VERB njb-45 3 49     SPACE njb-45 3 50 drug drug NOUN njb-45 3 51     SPACE njb-45 3 52 design design NOUN njb-45 3 53     SPACE njb-45 3 54 dipali dipali ADJ njb-45 3 55 singh singh PROPN njb-45 3 56 * * PROPN njb-45 3 57 , , PUNCT njb-45 3 58 anushree anushree PROPN njb-45 3 59 tripathi tripathi PROPN njb-45 3 60 , , PUNCT njb-45 3 61 gautam gautam PROPN njb-45 3 62 kumar kumar PROPN njb-45 3 63 1department 1department NUM njb-45 3 64 of of ADP njb-45 3 65 bioinformatics bioinformatics PROPN njb-45 3 66 , , PUNCT njb-45 3 67 indian indian PROPN njb-45 3 68 institute institute PROPN njb-45 3 69 of of ADP njb-45 3 70 information information PROPN njb-45 3 71 technology technology PROPN njb-45 3 72 - - PUNCT njb-45 3 73 allahabad allahabad PROPN njb-45 3 74 , , PUNCT njb-45 3 75 india india PROPN njb-45 3 76 . . PUNCT njb-45 4 1 * * PUNCT njb-45 4 2 corresponding correspond VERB njb-45 4 3 address address NOUN njb-45 4 4 : : PUNCT njb-45 4 5 indian indian PROPN njb-45 4 6 institute institute PROPN njb-45 4 7 of of ADP njb-45 4 8 information information PROPN njb-45 4 9 technology technology PROPN njb-45 4 10 - - PUNCT njb-45 4 11 allahabad allahabad PROPN njb-45 4 12 , , PUNCT njb-45 4 13 211012 211012 NUM njb-45 4 14 , , PUNCT njb-45 4 15 india india PROPN njb-45 4 16 . . PUNCT njb-45 5 1 email email NOUN njb-45 5 2 : : PUNCT njb-45 5 3 ibi2010002@iiita.ac.in ibi2010002@iiita.ac.in PROPN njb-45 5 4 , , PUNCT njb-45 5 5 dipali.d4@gmail.com dipali.d4@gmail.com NUM njb-45 5 6 short short ADJ njb-45 5 7 title title NOUN njb-45 5 8 : : PUNCT njb-45 5 9 computational computational ADJ njb-45 5 10 approaches approach NOUN njb-45 5 11 in in ADP njb-45 5 12 sbdd sbdd PROPN njb-45 5 13 abstract abstract ADJ njb-45 5 14 drug drug NOUN njb-45 5 15 design design NOUN njb-45 5 16 is be AUX njb-45 5 17 a a DET njb-45 5 18 costly costly ADJ njb-45 5 19 and and CCONJ njb-45 5 20 difficult difficult ADJ njb-45 5 21 process process NOUN njb-45 5 22 . . PUNCT njb-45 6 1 drug drug NOUN njb-45 6 2 must must AUX njb-45 6 3 fulfill fulfill VERB njb-45 6 4 several several ADJ njb-45 6 5 criteria criterion NOUN njb-45 6 6 of of ADP njb-45 6 7 being be AUX njb-45 6 8 active active ADJ njb-45 6 9 , , PUNCT njb-45 6 10 nontoxic nontoxic ADJ njb-45 6 11 and and CCONJ njb-45 6 12 bioavailable bioavailable ADJ njb-45 6 13 . . PUNCT njb-45 7 1 the the DET njb-45 7 2 conventional conventional ADJ njb-45 7 3 way way NOUN njb-45 7 4 of of ADP njb-45 7 5 synthesizing synthesize VERB njb-45 7 6 drugs drug NOUN njb-45 7 7 is be AUX njb-45 7 8 a a DET njb-45 7 9 monotonous monotonous ADJ njb-45 7 10 process process NOUN njb-45 7 11 . . PUNCT njb-45 8 1 but but CCONJ njb-45 8 2 computer computer NOUN njb-45 8 3 aided aid VERB njb-45 8 4 drug drug NOUN njb-45 8 5 design design NOUN njb-45 8 6 is be AUX njb-45 8 7 a a DET njb-45 8 8 proficient proficient ADJ njb-45 8 9 way way NOUN njb-45 8 10 to to PART njb-45 8 11 overcome overcome VERB njb-45 8 12 the the DET njb-45 8 13 tedious tedious ADJ njb-45 8 14 process process NOUN njb-45 8 15 of of ADP njb-45 8 16 conventional conventional ADJ njb-45 8 17 method method NOUN njb-45 8 18 . . PUNCT njb-45 9 1 drugs drug NOUN njb-45 9 2 can can AUX njb-45 9 3 be be AUX njb-45 9 4 designed design VERB njb-45 9 5 computationally computationally ADV njb-45 9 6 by by ADP njb-45 9 7 structure structure NOUN njb-45 9 8 or or CCONJ njb-45 9 9 target target VERB njb-45 9 10 based base VERB njb-45 9 11 drug drug NOUN njb-45 9 12 designing designing PROPN njb-45 9 13 ( ( PUNCT njb-45 9 14 sbdd sbdd PROPN njb-45 9 15 ) ) PUNCT njb-45 9 16 . . PUNCT njb-45 10 1 this this DET njb-45 10 2 review review NOUN njb-45 10 3 summarizes summarize VERB njb-45 10 4 the the DET njb-45 10 5 methods method NOUN njb-45 10 6 of of ADP njb-45 10 7 structure structure NOUN njb-45 10 8 based base VERB njb-45 10 9 drug drug NOUN njb-45 10 10 design design NOUN njb-45 10 11 , , PUNCT njb-45 10 12 usage usage NOUN njb-45 10 13 of of ADP njb-45 10 14 related related ADJ njb-45 10 15 softwares software NOUN njb-45 10 16 and and CCONJ njb-45 10 17 a a DET njb-45 10 18 case case NOUN njb-45 10 19 study study NOUN njb-45 10 20 that that PRON njb-45 10 21 explores explore VERB njb-45 10 22 to to PART njb-45 10 23 find find VERB njb-45 10 24 a a DET njb-45 10 25 suitable suitable ADJ njb-45 10 26 drug drug NOUN njb-45 10 27 ( ( PUNCT njb-45 10 28 lead lead NOUN njb-45 10 29 ) ) PUNCT njb-45 10 30 molecule molecule NOUN njb-45 10 31 for for ADP njb-45 10 32 the the DET njb-45 10 33 mutated mutated ADJ njb-45 10 34 state state NOUN njb-45 10 35 of of ADP njb-45 10 36 h h PROPN njb-45 10 37 - - PUNCT njb-45 10 38 ras ras PROPN njb-45 10 39 protein protein NOUN njb-45 10 40 in in ADP njb-45 10 41 order order NOUN njb-45 10 42 to to PART njb-45 10 43 prevent prevent VERB njb-45 10 44 complex complex ADJ njb-45 10 45 formation formation NOUN njb-45 10 46 with with ADP njb-45 10 47 raf raf PROPN njb-45 10 48 protein protein PROPN njb-45 10 49 . . PUNCT njb-45 11 1 keywords keyword NOUN njb-45 11 2 : : PUNCT njb-45 11 3 computer computer NOUN njb-45 11 4 aided aid VERB njb-45 11 5 drug drug NOUN njb-45 11 6 design design NOUN njb-45 11 7 , , PUNCT njb-45 11 8 structure structure NOUN njb-45 11 9 based base VERB njb-45 11 10 drug drug NOUN njb-45 11 11 design design PROPN njb-45 11 12 , , PUNCT njb-45 11 13 ras ras PROPN njb-45 11 14 - - PUNCT njb-45 11 15 protein protein NOUN njb-45 11 16 introduction introduction NOUN njb-45 11 17 traditionally traditionally ADV njb-45 11 18 , , PUNCT njb-45 11 19 new new ADJ njb-45 11 20 drugs drug NOUN njb-45 11 21 were be AUX njb-45 11 22 generated generate VERB njb-45 11 23 from from ADP njb-45 11 24 plants plant NOUN njb-45 11 25 and and CCONJ njb-45 11 26 other other ADJ njb-45 11 27 natural natural ADJ njb-45 11 28 products product NOUN njb-45 11 29 through through ADP njb-45 11 30 accidental accidental ADJ njb-45 11 31 observations observation NOUN njb-45 11 32 and and CCONJ njb-45 11 33 discoveries discovery NOUN njb-45 11 34 . . PUNCT njb-45 12 1 leads lead VERB njb-45 12 2 for for ADP njb-45 12 3 new new ADJ njb-45 12 4 drug drug NOUN njb-45 12 5 were be AUX njb-45 12 6 generated generate VERB njb-45 12 7 from from ADP njb-45 12 8 screening screen VERB njb-45 12 9 of of ADP njb-45 12 10 organic organic ADJ njb-45 12 11 compounds compound NOUN njb-45 12 12 . . PUNCT njb-45 13 1 increasing increase VERB njb-45 13 2 information information NOUN njb-45 13 3 on on ADP njb-45 13 4 the the DET njb-45 13 5 three three NUM njb-45 13 6 dimensional dimensional ADJ njb-45 13 7 structure structure NOUN njb-45 13 8 of of ADP njb-45 13 9 the the DET njb-45 13 10 biological biological ADJ njb-45 13 11 target target NOUN njb-45 13 12 has have AUX njb-45 13 13 paved pave VERB njb-45 13 14 path path NOUN njb-45 13 15 for for ADP njb-45 13 16 structure structure NOUN njb-45 13 17 based base VERB njb-45 13 18 drug drug NOUN njb-45 13 19 design design NOUN njb-45 13 20 . . PUNCT njb-45 14 1 the the DET njb-45 14 2 rapid rapid ADJ njb-45 14 3 progress progress NOUN njb-45 14 4 in in ADP njb-45 14 5 the the DET njb-45 14 6 field field NOUN njb-45 14 7 of of ADP njb-45 14 8 genomic genomic NOUN njb-45 14 9 , , PUNCT njb-45 14 10 proteomic proteomic ADJ njb-45 14 11 , , PUNCT njb-45 14 12 and and CCONJ njb-45 14 13 structural structural ADJ njb-45 14 14 biology biology NOUN njb-45 14 15 has have AUX njb-45 14 16 increased increase VERB njb-45 14 17 the the DET njb-45 14 18 opportunities opportunity NOUN njb-45 14 19 for for ADP njb-45 14 20 future future ADJ njb-45 14 21 drug drug NOUN njb-45 14 22 lead lead NOUN njb-45 14 23 discovery discovery NOUN njb-45 14 24 . . PUNCT njb-45 15 1 the the DET njb-45 15 2 antihypertensive antihypertensive ADJ njb-45 15 3 drug drug PROPN njb-45 15 4 , , PUNCT njb-45 15 5 captopril captopril PROPN njb-45 15 6 , , PUNCT njb-45 15 7 an an DET njb-45 15 8 angiotensin angiotensin NOUN njb-45 15 9 - - PUNCT njb-45 15 10 converting convert VERB njb-45 15 11 enzyme enzyme NOUN njb-45 15 12 ( ( PUNCT njb-45 15 13 ace ace NOUN njb-45 15 14 ) ) PUNCT njb-45 15 15 inhibitor inhibitor NOUN njb-45 15 16 was be AUX njb-45 15 17 the the DET njb-45 15 18 first first ADJ njb-45 15 19 success success NOUN njb-45 15 20 story story NOUN njb-45 15 21 in in ADP njb-45 15 22 structure structure NOUN njb-45 15 23 based base VERB njb-45 15 24 drug drug NOUN njb-45 15 25 design design NOUN njb-45 15 26 [ [ X njb-45 15 27 1 1 NUM njb-45 15 28 ] ] X njb-45 15 29 . . PUNCT njb-45 16 1 kubinyi kubinyi PROPN njb-45 16 2 has have AUX njb-45 16 3 reviewed review VERB njb-45 16 4 success success NOUN njb-45 16 5 stories story NOUN njb-45 16 6 of of ADP njb-45 16 7 structure structure NOUN njb-45 16 8 based base VERB njb-45 16 9 drug drug NOUN njb-45 16 10 design design NOUN njb-45 16 11 in in ADP njb-45 16 12 the the DET njb-45 16 13 search search NOUN njb-45 16 14 for for ADP njb-45 16 15 new new ADJ njb-45 16 16 , , PUNCT njb-45 16 17 potent potent ADJ njb-45 16 18 and and CCONJ njb-45 16 19 selective selective ADJ njb-45 16 20 hiv hiv PROPN njb-45 16 21 protease protease NOUN njb-45 16 22 inhibitors inhibitor NOUN njb-45 16 23 , , PUNCT njb-45 16 24 thrombin thrombin NOUN njb-45 16 25 inhibitors inhibitor NOUN njb-45 16 26 , , PUNCT njb-45 16 27 neuraminidase neuraminidase NOUN njb-45 16 28 inhibitors inhibitor NOUN njb-45 16 29 and and CCONJ njb-45 16 30 integrin integrin NOUN njb-45 16 31 receptor receptor NOUN njb-45 16 32 antagonists antagonist NOUN njb-45 16 33 [ [ X njb-45 16 34 1 1 NUM njb-45 16 35 ] ] X njb-45 16 36 . . PUNCT njb-45 17 1 anderson anderson PROPN njb-45 17 2 in in ADP njb-45 17 3 his his PRON njb-45 17 4 review review NOUN njb-45 17 5 paper paper NOUN njb-45 17 6 mentioned mention VERB njb-45 17 7 that that SCONJ njb-45 17 8 two two NUM njb-45 17 9 of of ADP njb-45 17 10 the the DET njb-45 17 11 first first ADJ njb-45 17 12 drugs drug NOUN njb-45 17 13 to to PART njb-45 17 14 reach reach VERB njb-45 17 15 the the DET njb-45 17 16 market market NOUN njb-45 17 17 using use VERB njb-45 17 18 sbdd sbdd PROPN njb-45 17 19 were be AUX njb-45 17 20 amprenavir amprenavir PROPN njb-45 17 21 and and CCONJ njb-45 17 22 nelfinavir nelfinavir PROPN njb-45 17 23 developed develop VERB njb-45 17 24 against against ADP njb-45 17 25 hiv hiv PROPN njb-45 17 26 protease protease NOUN njb-45 18 1 [ [ X njb-45 18 2 2 2 NUM njb-45 18 3 ] ] X njb-45 18 4 . . PUNCT njb-45 19 1 structure structure NOUN njb-45 19 2 nepal nepal ADJ njb-45 19 3     SPACE njb-45 19 4 journal journal NOUN njb-45 19 5     SPACE njb-45 19 6 of of ADP njb-45 19 7     SPACE njb-45 19 8 biotechnology biotechnology NOUN njb-45 19 9 . . PUNCT njb-45 19 10         SPACE njb-45 20 1 dec dec PROPN njb-45 20 2 . . PROPN njb-45 20 3     SPACE njb-45 20 4 2011 2011 NUM njb-45 20 5 , , PUNCT njb-45 20 6     SPACE njb-45 20 7 vol vol NOUN njb-45 20 8 . . PUNCT njb-45 20 9     SPACE njb-45 20 10 2 2 NUM njb-45 20 11 , , PUNCT njb-45 20 12     SPACE njb-45 20 13 no no INTJ njb-45 20 14 . . PUNCT njb-45 20 15     SPACE njb-45 21 1 1 1 NUM njb-45 21 2 : : PUNCT njb-45 21 3     SPACE njb-45 21 4 53 53 NUM njb-45 21 5 – – PUNCT njb-45 21 6     SPACE njb-45 21 7 61 61 NUM njb-45 21 8                                                                                                                                                                                                                                             SPACE njb-45 21 9 biotechnology biotechnology NOUN njb-45 21 10     SPACE njb-45 21 11 society society NOUN njb-45 21 12     SPACE njb-45 21 13 of of ADP njb-45 21 14     SPACE njb-45 21 15 nepal nepal NOUN njb-45 21 16     SPACE njb-45 21 17 ( ( PUNCT njb-45 21 18 bsn bsn PROPN njb-45 21 19 ) ) PUNCT njb-45 21 20 , , PUNCT njb-45 21 21     SPACE njb-45 21 22 all all DET njb-45 21 23     SPACE njb-45 21 24 rights right NOUN njb-45 21 25     SPACE njb-45 21 26 reserved reserve VERB njb-45 21 27         SPACE njb-45 21 28 54 54 NUM njb-45 21 29     SPACE njb-45 21 30 based base VERB njb-45 21 31 drug drug NOUN njb-45 21 32 design design NOUN njb-45 21 33 can can AUX njb-45 21 34 successfully successfully ADV njb-45 21 35 contribute contribute VERB njb-45 21 36 to to ADP njb-45 21 37 the the DET njb-45 21 38 discovery discovery NOUN njb-45 21 39 process process NOUN njb-45 21 40 at at ADP njb-45 21 41 different different ADJ njb-45 21 42 stages stage NOUN njb-45 21 43 . . PUNCT njb-45 22 1 it it PRON njb-45 22 2 can can AUX njb-45 22 3 be be AUX njb-45 22 4 used use VERB njb-45 22 5 at at ADP njb-45 22 6 a a DET njb-45 22 7 very very ADV njb-45 22 8 early early ADJ njb-45 22 9 stage stage NOUN njb-45 22 10 at at ADP njb-45 22 11 which which PRON njb-45 22 12 no no DET njb-45 22 13 leads lead NOUN njb-45 22 14 are be AUX njb-45 22 15 available available ADJ njb-45 22 16 [ [ X njb-45 22 17 3 3 NUM njb-45 22 18 ] ] X njb-45 22 19 . . PUNCT njb-45 23 1 1 1 X njb-45 23 2 . . X njb-45 23 3 overview overview NOUN njb-45 23 4 of of ADP njb-45 23 5 the the DET njb-45 23 6 process process NOUN njb-45 23 7 proteins protein VERB njb-45 23 8 3d 3d NOUN njb-45 23 9 structures structure NOUN njb-45 23 10 are be AUX njb-45 23 11 generally generally ADV njb-45 23 12 used use VERB njb-45 23 13 by by ADP njb-45 23 14 sbdd sbdd PROPN njb-45 23 15 to to PART njb-45 23 16 assist assist VERB njb-45 23 17 for for ADP njb-45 23 18 the the DET njb-45 23 19 development development NOUN njb-45 23 20 and and CCONJ njb-45 23 21 design design NOUN njb-45 23 22 of of ADP njb-45 23 23 new new ADJ njb-45 23 24 lead lead NOUN njb-45 23 25 ( ( PUNCT njb-45 23 26 drug drug NOUN njb-45 23 27 compounds compound NOUN njb-45 23 28 ) ) PUNCT njb-45 23 29 . . PUNCT njb-45 24 1 the the DET njb-45 24 2 overall overall ADJ njb-45 24 3 process process NOUN njb-45 24 4 of of ADP njb-45 24 5 sbdd sbdd PROPN njb-45 24 6 ( ( PUNCT njb-45 24 7 figure figure NOUN njb-45 24 8 1 1 NUM njb-45 24 9 ) ) PUNCT njb-45 24 10 would would AUX njb-45 24 11 be be AUX njb-45 24 12 divided divide VERB njb-45 24 13 mainly mainly ADV njb-45 24 14 into into ADP njb-45 24 15 two two NUM njb-45 24 16 parts part NOUN njb-45 24 17 : : PUNCT njb-45 24 18 a. a. NOUN njb-45 24 19 docking docking NOUN njb-45 24 20 ligands ligand NOUN njb-45 24 21 proteins protein NOUN njb-45 24 22 are be AUX njb-45 24 23 flexible flexible ADJ njb-45 24 24 molecules molecule NOUN njb-45 24 25 and and CCONJ njb-45 24 26 they they PRON njb-45 24 27 adjust adjust VERB njb-45 24 28 their their PRON njb-45 24 29 shape shape NOUN njb-45 24 30 to to AUX njb-45 24 31 place place VERB njb-45 24 32 bound bind VERB njb-45 24 33 ligands ligand NOUN njb-45 24 34 through through ADP njb-45 24 35 rotation rotation NOUN njb-45 24 36 of of ADP njb-45 24 37 bonds bond NOUN njb-45 24 38 . . PUNCT njb-45 25 1 sbdd sbdd PROPN njb-45 25 2 allows allow VERB njb-45 25 3 to to PART njb-45 25 4 dock dock VERB njb-45 25 5 ligand ligand NOUN njb-45 25 6 / / SYM njb-45 25 7 drug drug NOUN njb-45 25 8 molecules molecule NOUN njb-45 25 9 into into ADP njb-45 25 10 protein protein NOUN njb-45 25 11 active active ADJ njb-45 25 12 sites site NOUN njb-45 25 13 and and CCONJ njb-45 25 14 to to PART njb-45 25 15 visualize visualize VERB njb-45 25 16 the the DET njb-45 25 17 movement movement NOUN njb-45 25 18 that that PRON njb-45 25 19 occurs occur VERB njb-45 25 20 in in ADP njb-45 25 21 amino amino ADJ njb-45 25 22 acid acid NOUN njb-45 25 23 side side NOUN njb-45 25 24 chains chain NOUN njb-45 25 25 . . PUNCT njb-45 26 1 b. b. PROPN njb-45 26 2 lead lead PROPN njb-45 26 3 optimization optimization PROPN njb-45 26 4 lead lead NOUN njb-45 26 5 optimization optimization NOUN njb-45 26 6 is be AUX njb-45 26 7 a a DET njb-45 26 8 technique technique NOUN njb-45 26 9 of of ADP njb-45 26 10 refining refine VERB njb-45 26 11 3d 3d NOUN njb-45 26 12 structures structure NOUN njb-45 26 13 of of ADP njb-45 26 14 drug drug NOUN njb-45 26 15 molecules molecule NOUN njb-45 26 16 and and CCONJ njb-45 26 17 it it PRON njb-45 26 18 promotes promote VERB njb-45 26 19 the the DET njb-45 26 20 binding binding NOUN njb-45 26 21 of of ADP njb-45 26 22 drug drug NOUN njb-45 26 23 to to PART njb-45 26 24 protein protein VERB njb-45 26 25 active active ADJ njb-45 26 26 sites site NOUN njb-45 26 27 . . PUNCT njb-45 27 1 in in ADP njb-45 27 2 this this DET njb-45 27 3 technique technique NOUN njb-45 27 4 , , PUNCT njb-45 27 5 researches research NOUN njb-45 27 6 gradually gradually ADV njb-45 27 7 modify modify VERB njb-45 27 8 the the DET njb-45 27 9 structure structure NOUN njb-45 27 10 of of ADP njb-45 27 11 the the DET njb-45 27 12 drug drug NOUN njb-45 27 13 compound compound NOUN njb-45 27 14 by by ADP njb-45 27 15 docking dock VERB njb-45 27 16 every every DET njb-45 27 17 specific specific ADJ njb-45 27 18 structure structure NOUN njb-45 27 19 of of ADP njb-45 27 20 a a DET njb-45 27 21 drug drug NOUN njb-45 27 22 compound compound NOUN njb-45 27 23 in in ADP njb-45 27 24 active active ADJ njb-45 27 25 site site NOUN njb-45 27 26 of of ADP njb-45 27 27 protein protein NOUN njb-45 27 28 , , PUNCT njb-45 27 29 and and CCONJ njb-45 27 30 calculating calculate VERB njb-45 27 31 their their PRON njb-45 27 32 extent extent NOUN njb-45 27 33 of of ADP njb-45 27 34 interactions interaction NOUN njb-45 27 35 . . PUNCT njb-45 27 36 ! ! PUNCT njb-45 27 37 ! ! PUNCT njb-45 28 1 " " PUNCT njb-45 28 2 # # SYM njb-45 28 3 $ $ SYM njb-45 28 4 % % NOUN njb-45 28 5 & & CCONJ njb-45 28 6 ' ' PUNCT njb-45 28 7 ( ( PUNCT njb-45 28 8 ) ) PUNCT njb-45 28 9 * * PUNCT njb-45 28 10 # # SYM njb-45 28 11 $ $ SYM njb-45 28 12 + + NUM njb-45 28 13 , , PUNCT njb-45 28 14 $ $ SYM njb-45 28 15 -'.&/'&.#0123#4$5.&6$5#3)6 -'.&/'&.#0123#4$5.&6$5#3)6 NUM njb-45 28 16 * * PUNCT njb-45 28 17 ! ! PUNCT njb-45 28 18 ! ! PUNCT njb-45 28 19     SPACE njb-45 29 1 fig.1 fig.1 ADJ njb-45 29 2 : : PUNCT njb-45 29 3 the the DET njb-45 29 4 outline outline NOUN njb-45 29 5 of of ADP njb-45 29 6 structure structure NOUN njb-45 29 7 - - PUNCT njb-45 29 8 based base VERB njb-45 29 9 drug drug NOUN njb-45 29 10 design design NOUN njb-45 29 11 2 2 NUM njb-45 29 12 . . PUNCT njb-45 29 13 design design NOUN njb-45 29 14 process process NOUN njb-45 29 15 a. a. NOUN njb-45 29 16 choice choice NOUN njb-45 29 17 of of ADP njb-45 29 18 drug drug NOUN njb-45 29 19 target target NOUN njb-45 29 20 the the DET njb-45 29 21 target target NOUN njb-45 29 22 should should AUX njb-45 29 23 be be AUX njb-45 29 24 closely closely ADV njb-45 29 25 linked link VERB njb-45 29 26 to to PART njb-45 29 27 cause cause VERB njb-45 29 28 of of ADP njb-45 29 29 human human ADJ njb-45 29 30 disease disease NOUN njb-45 29 31 and and CCONJ njb-45 29 32 binds bind VERB njb-45 29 33 to to ADP njb-45 29 34 a a DET njb-45 29 35 small small ADJ njb-45 29 36 molecule molecule NOUN njb-45 29 37 , , PUNCT njb-45 29 38 generally generally ADV njb-45 29 39 a a DET njb-45 29 40 protein protein NOUN njb-45 29 41 , , PUNCT njb-45 29 42 in in ADP njb-45 29 43 order order NOUN njb-45 29 44 to to PART njb-45 29 45 carry carry VERB njb-45 29 46 out out ADP njb-45 29 47 a a DET njb-45 29 48 function function NOUN njb-45 29 49 . . PUNCT njb-45 30 1 drug drug NOUN njb-45 30 2 target target NOUN njb-45 30 3 are be AUX njb-45 30 4 usually usually ADV njb-45 30 5 protein protein NOUN njb-45 30 6 having have VERB njb-45 30 7 a a DET njb-45 30 8 well well ADV njb-45 30 9 - - PUNCT njb-45 30 10 defined define VERB njb-45 30 11 binding bind VERB njb-45 30 12 pocket pocket NOUN njb-45 30 13 . . PUNCT njb-45 31 1 sbdd sbdd PROPN njb-45 31 2 against against ADP njb-45 31 3 rna rna PROPN njb-45 31 4 targets target NOUN njb-45 31 5 with with ADP njb-45 31 6 well well ADV njb-45 31 7 - - PUNCT njb-45 31 8 defined define VERB njb-45 31 9 secondary secondary ADJ njb-45 31 10 structure structure NOUN njb-45 31 11 has have AUX njb-45 31 12 also also ADV njb-45 31 13 been be AUX njb-45 31 14 effective effective ADJ njb-45 31 15 [ [ X njb-45 31 16 2 2 NUM njb-45 31 17 ] ] PUNCT njb-45 31 18 . . PUNCT njb-45 32 1 after after ADP njb-45 32 2 the the DET njb-45 32 3 identification identification NOUN njb-45 32 4 of of ADP njb-45 32 5 target target NOUN njb-45 32 6 , , PUNCT njb-45 32 7 structure structure NOUN njb-45 32 8 can can AUX njb-45 32 9 be be AUX njb-45 32 10 determined determine VERB njb-45 32 11 following follow VERB njb-45 32 12 any any PRON njb-45 32 13 of of ADP njb-45 32 14 the the DET njb-45 32 15 methods method NOUN njb-45 32 16 : : PUNCT njb-45 32 17 1 1 X njb-45 32 18 . . X njb-45 32 19 x x X njb-45 32 20 - - NOUN njb-45 32 21 ray ray NOUN njb-45 32 22 crystallography crystallography NOUN njb-45 32 23 2 2 NUM njb-45 32 24 . . PUNCT njb-45 32 25 nuclear nuclear ADJ njb-45 32 26 magnetic magnetic ADJ njb-45 32 27 resonance resonance NOUN njb-45 32 28 spectroscopy spectroscopy NOUN njb-45 32 29 ( ( PUNCT njb-45 32 30 nmr nmr NOUN njb-45 32 31 ) ) PUNCT njb-45 32 32 3 3 NUM njb-45 32 33 . . PUNCT njb-45 32 34 computational computational ADJ njb-45 32 35 methods method NOUN njb-45 32 36 ( ( PUNCT njb-45 32 37 modelling modelling NOUN njb-45 32 38 ) ) PUNCT njb-45 32 39 4 4 NUM njb-45 32 40 . . NOUN njb-45 32 41 atomic atomic ADJ njb-45 32 42 force force PROPN njb-45 32 43 field field NOUN njb-45 32 44 microscopy microscopy NOUN njb-45 32 45 ( ( PUNCT njb-45 32 46 afm afm PROPN njb-45 32 47 ) ) PUNCT njb-45 32 48 3 3 NUM njb-45 32 49 . . PUNCT njb-45 32 50 drug drug NOUN njb-45 32 51 design design NOUN njb-45 32 52 methods method NOUN njb-45 32 53 once once SCONJ njb-45 32 54 identification identification NOUN njb-45 32 55 of of ADP njb-45 32 56 structure structure NOUN njb-45 32 57 and and CCONJ njb-45 32 58 target target NOUN njb-45 32 59 site site NOUN njb-45 32 60 is be AUX njb-45 32 61 completed complete VERB njb-45 32 62 , , PUNCT njb-45 32 63 there there PRON njb-45 32 64 are be VERB njb-45 32 65 number number NOUN njb-45 32 66 of of ADP njb-45 32 67 ways way NOUN njb-45 32 68 to to PART njb-45 32 69 develop develop VERB njb-45 32 70 lead lead NOUN njb-45 32 71 based base VERB njb-45 32 72 on on ADP njb-45 32 73 the the DET njb-45 32 74 structure structure NOUN njb-45 32 75 of of ADP njb-45 32 76 the the DET njb-45 32 77 target target NOUN njb-45 32 78 nepal nepal ADJ njb-45 32 79     SPACE njb-45 32 80 journal journal NOUN njb-45 32 81     SPACE njb-45 32 82 of of ADP njb-45 32 83     SPACE njb-45 32 84 biotechnology biotechnology NOUN njb-45 32 85 . . PUNCT njb-45 32 86         SPACE njb-45 33 1 dec dec PROPN njb-45 33 2 . . PROPN njb-45 33 3     SPACE njb-45 33 4 2011 2011 NUM njb-45 33 5 , , PUNCT njb-45 33 6     SPACE njb-45 33 7 vol vol NOUN njb-45 33 8 . . PUNCT njb-45 33 9     SPACE njb-45 33 10 2 2 NUM njb-45 33 11 , , PUNCT njb-45 33 12     SPACE njb-45 33 13 no no INTJ njb-45 33 14 . . PUNCT njb-45 33 15     SPACE njb-45 34 1 1 1 NUM njb-45 34 2 : : PUNCT njb-45 34 3     SPACE njb-45 34 4 53 53 NUM njb-45 34 5 – – PUNCT njb-45 34 6     SPACE njb-45 34 7 61 61 NUM njb-45 34 8                                                                                                                                                                                                                                             SPACE njb-45 34 9 biotechnology biotechnology NOUN njb-45 34 10     SPACE njb-45 34 11 society society NOUN njb-45 34 12     SPACE njb-45 34 13 of of ADP njb-45 34 14     SPACE njb-45 34 15 nepal nepal NOUN njb-45 34 16     SPACE njb-45 34 17 ( ( PUNCT njb-45 34 18 bsn bsn PROPN njb-45 34 19 ) ) PUNCT njb-45 34 20 , , PUNCT njb-45 34 21     SPACE njb-45 34 22 all all DET njb-45 34 23     SPACE njb-45 34 24 rights right NOUN njb-45 34 25     SPACE njb-45 34 26 reserved reserve VERB njb-45 34 27         SPACE njb-45 34 28 55 55 NUM njb-45 34 29     SPACE njb-45 34 30 which which PRON njb-45 34 31 can can AUX njb-45 34 32 be be AUX njb-45 34 33 categorized categorize VERB njb-45 34 34 as as ADP njb-45 34 35 computer computer NOUN njb-45 34 36 aided aid VERB njb-45 34 37 versus versus ADP njb-45 34 38 experimental experimental ADJ njb-45 34 39 . . PUNCT njb-45 35 1 in in ADP njb-45 35 2 experimental experimental ADJ njb-45 35 3 method method NOUN njb-45 35 4 , , PUNCT njb-45 35 5 high high ADJ njb-45 35 6 - - PUNCT njb-45 35 7 throughput throughput NOUN njb-45 35 8 screening screening NOUN njb-45 35 9 is be AUX njb-45 35 10 performed perform VERB njb-45 35 11 with with ADP njb-45 35 12 combinatorial combinatorial ADJ njb-45 35 13 chemistry chemistry NOUN njb-45 35 14 and and CCONJ njb-45 35 15 thousands thousand NOUN njb-45 35 16 of of ADP njb-45 35 17 molecules molecule NOUN njb-45 35 18 are be AUX njb-45 35 19 tested test VERB njb-45 35 20 for for ADP njb-45 35 21 biochemical biochemical ADJ njb-45 35 22 effects effect NOUN njb-45 35 23 . . PUNCT njb-45 36 1 computer computer NOUN njb-45 36 2 - - PUNCT njb-45 36 3 aided aid VERB njb-45 36 4 methods method NOUN njb-45 36 5 can can AUX njb-45 36 6 be be AUX njb-45 36 7 classified classify VERB njb-45 36 8 into into ADP njb-45 36 9 3 3 NUM njb-45 36 10 categories category NOUN njb-45 36 11 . . PUNCT njb-45 37 1 a. a. NOUN njb-45 37 2 database database PROPN njb-45 37 3 searching search VERB njb-45 37 4 and and CCONJ njb-45 37 5 docking docking NOUN njb-45 37 6 methods method NOUN njb-45 37 7 b. b. PROPN njb-45 37 8 de de PROPN njb-45 37 9 novo novo PROPN njb-45 37 10 drug drug PROPN njb-45 37 11 design design NOUN njb-45 37 12 methods method NOUN njb-45 37 13 c. c. PROPN njb-45 37 14 ligand ligand PROPN njb-45 37 15 binding bind VERB njb-45 37 16 scoring scoring NOUN njb-45 37 17 functions function NOUN njb-45 37 18 a. a. NOUN njb-45 37 19 database database NOUN njb-45 37 20 searching search VERB njb-45 37 21 and and CCONJ njb-45 37 22 docking dock VERB njb-45 37 23 methods method NOUN njb-45 37 24 widely widely ADV njb-45 37 25 used use VERB njb-45 37 26 computational computational ADJ njb-45 37 27 docking docking NOUN njb-45 37 28 methods method NOUN njb-45 37 29 are be AUX njb-45 37 30 dock dock NOUN njb-45 37 31 , , PUNCT njb-45 37 32 concord concord NOUN njb-45 37 33 , , PUNCT njb-45 37 34 autodock autodock NOUN njb-45 37 35 , , PUNCT njb-45 37 36 flo98 flo98 NOUN njb-45 37 37 and and CCONJ njb-45 37 38 flexx flexx PROPN njb-45 37 39 . . PUNCT njb-45 38 1 dock dock PROPN njb-45 38 2 systematically systematically ADV njb-45 38 3 attempts attempt VERB njb-45 38 4 to to PART njb-45 38 5 fit fit VERB njb-45 38 6 each each DET njb-45 38 7 compound compound NOUN njb-45 38 8 from from ADP njb-45 38 9 a a DET njb-45 38 10 database database NOUN njb-45 38 11 to to ADP njb-45 38 12 the the DET njb-45 38 13 target target NOUN njb-45 38 14 structure structure NOUN njb-45 38 15 ’s ’s PART njb-45 38 16 binding bind VERB njb-45 38 17 site site NOUN njb-45 38 18 in in ADP njb-45 38 19 such such DET njb-45 38 20 a a DET njb-45 38 21 way way NOUN njb-45 38 22 that that SCONJ njb-45 38 23 in in ADP njb-45 38 24 the the DET njb-45 38 25 database database NOUN njb-45 38 26 , , PUNCT njb-45 38 27 three three NUM njb-45 38 28 or or CCONJ njb-45 38 29 more more ADJ njb-45 38 30 atoms atom NOUN njb-45 38 31 of of ADP njb-45 38 32 the the DET njb-45 38 33 molecule molecule NOUN njb-45 38 34 overlap overlap VERB njb-45 38 35 with with ADP njb-45 38 36 a a DET njb-45 38 37 set set NOUN njb-45 38 38 of of ADP njb-45 38 39 predefined predefine VERB njb-45 38 40 site site NOUN njb-45 38 41 points point NOUN njb-45 38 42 in in ADP njb-45 38 43 the the DET njb-45 38 44 target target NOUN njb-45 38 45 binding bind VERB njb-45 38 46 site site NOUN njb-45 38 47 [ [ PUNCT njb-45 38 48 7 7 NUM njb-45 38 49 ] ] PUNCT njb-45 38 50 . . PUNCT njb-45 39 1 the the DET njb-45 39 2 default default NOUN njb-45 39 3 method method NOUN njb-45 39 4 for for ADP njb-45 39 5 site site NOUN njb-45 39 6 point point NOUN njb-45 39 7 generation generation NOUN njb-45 39 8 involves involve VERB njb-45 39 9 creating create VERB njb-45 39 10 an an DET njb-45 39 11 inverse inverse ADJ njb-45 39 12 surface surface NOUN njb-45 39 13 of of ADP njb-45 39 14 the the DET njb-45 39 15 binding bind VERB njb-45 39 16 site site NOUN njb-45 39 17 . . PUNCT njb-45 40 1 this this PRON njb-45 40 2 is be AUX njb-45 40 3 specified specify VERB njb-45 40 4 by by ADP njb-45 40 5 the the DET njb-45 40 6 set set NOUN njb-45 40 7 of of ADP njb-45 40 8 overlapping overlap VERB njb-45 40 9 spheres sphere NOUN njb-45 40 10 that that PRON njb-45 40 11 fill fill VERB njb-45 40 12 the the DET njb-45 40 13 binding bind VERB njb-45 40 14 site site NOUN njb-45 40 15 and and CCONJ njb-45 40 16 touch touch VERB njb-45 40 17 the the DET njb-45 40 18 molecular molecular ADJ njb-45 40 19 surface surface NOUN njb-45 40 20 at at ADP njb-45 40 21 two two NUM njb-45 40 22 points point NOUN njb-45 40 23 . . PUNCT njb-45 41 1 the the DET njb-45 41 2 sphere sphere PROPN njb-45 41 3 centers center NOUN njb-45 41 4 ( ( PUNCT njb-45 41 5 for for ADP njb-45 41 6 all all DET njb-45 41 7 spheres sphere NOUN njb-45 41 8 with with ADP njb-45 41 9 radii radius NOUN njb-45 41 10 within within ADP njb-45 41 11 a a DET njb-45 41 12 specified specify VERB njb-45 41 13 range range NOUN njb-45 41 14 ) ) PUNCT njb-45 41 15 are be AUX njb-45 41 16 used use VERB njb-45 41 17 as as ADP njb-45 41 18 site site NOUN njb-45 41 19 points point NOUN njb-45 41 20 . . PUNCT njb-45 42 1 concord concord PROPN njb-45 42 2 is be AUX njb-45 42 3 based base VERB njb-45 42 4 on on ADP njb-45 42 5 the the DET njb-45 42 6 combination combination NOUN njb-45 42 7 of of ADP njb-45 42 8 geometry geometry NOUN njb-45 42 9 rules rule NOUN njb-45 42 10 and and CCONJ njb-45 42 11 optimization optimization NOUN njb-45 42 12 methods method NOUN njb-45 42 13 . . PUNCT njb-45 43 1 it it PRON njb-45 43 2 selects select VERB njb-45 43 3 lowest low ADJ njb-45 43 4 energy energy NOUN njb-45 43 5 conformer conformer NOUN njb-45 43 6 of of ADP njb-45 43 7 the the DET njb-45 43 8 molecule molecule NOUN njb-45 43 9 then then ADV njb-45 43 10 scores score VERB njb-45 43 11 on on ADP njb-45 43 12 grid grid NOUN njb-45 43 13 using use VERB njb-45 43 14 different different ADJ njb-45 43 15 energy energy NOUN njb-45 43 16 functions function NOUN njb-45 43 17 . . PUNCT njb-45 44 1 on on ADP njb-45 44 2 the the DET njb-45 44 3 basis basis NOUN njb-45 44 4 of of ADP njb-45 44 5 precalculated precalculate VERB njb-45 44 6 values value NOUN njb-45 44 7 for for ADP njb-45 44 8 protein protein NOUN njb-45 44 9 , , PUNCT njb-45 44 10 each each DET njb-45 44 11 match match NOUN njb-45 44 12 is be AUX njb-45 44 13 scored score VERB njb-45 44 14 on on ADP njb-45 44 15 a a DET njb-45 44 16 grid grid NOUN njb-45 44 17 throughout throughout ADP njb-45 44 18 the the DET njb-45 44 19 binding bind VERB njb-45 44 20 site site NOUN njb-45 44 21 of of ADP njb-45 44 22 target target NOUN njb-45 44 23 molecule molecule NOUN njb-45 44 24 [ [ PUNCT njb-45 44 25 7 7 NUM njb-45 44 26 ] ] X njb-45 44 27 . . PUNCT njb-45 45 1 b. b. PROPN njb-45 45 2 de de PROPN njb-45 45 3 novo novo PROPN njb-45 45 4 drug drug PROPN njb-45 45 5 design design NOUN njb-45 45 6 methods method NOUN njb-45 45 7 structure structure NOUN njb-45 45 8 based base VERB njb-45 45 9 drug drug NOUN njb-45 45 10 designing designing NOUN njb-45 45 11 methods method NOUN njb-45 45 12 rely rely VERB njb-45 45 13 exclusively exclusively ADV njb-45 45 14 on on ADP njb-45 45 15 ligand ligand NOUN njb-45 45 16 optimization optimization NOUN njb-45 45 17 approach approach NOUN njb-45 45 18 based base VERB njb-45 45 19 on on ADP njb-45 45 20 the the DET njb-45 45 21 study study NOUN njb-45 45 22 of of ADP njb-45 45 23 protein protein NOUN njb-45 45 24 active active ADJ njb-45 45 25 site site NOUN njb-45 45 26 properties property NOUN njb-45 45 27 . . PUNCT njb-45 46 1 there there PRON njb-45 46 2 are be VERB njb-45 46 3 three three NUM njb-45 46 4 important important ADJ njb-45 46 5 categories category NOUN njb-45 46 6 of of ADP njb-45 46 7 computational computational ADJ njb-45 46 8 methods method NOUN njb-45 46 9 for for ADP njb-45 46 10 the the DET njb-45 46 11 de de X njb-45 46 12 novo novo NOUN njb-45 46 13 design design NOUN njb-45 46 14 of of ADP njb-45 46 15 structure structure NOUN njb-45 46 16 based base VERB njb-45 46 17 ligands ligand NOUN njb-45 46 18 : : PUNCT njb-45 46 19 fragment fragment ADJ njb-45 46 20 positioning positioning NOUN njb-45 46 21 methods method NOUN njb-45 46 22 , , PUNCT njb-45 46 23 molecule molecule NOUN njb-45 46 24 growth growth NOUN njb-45 46 25 methods method NOUN njb-45 46 26 , , PUNCT njb-45 46 27 and and CCONJ njb-45 46 28 fragment fragment ADJ njb-45 46 29 methods method NOUN njb-45 46 30 coupled couple VERB njb-45 46 31 to to ADP njb-45 46 32 database database NOUN njb-45 46 33 searches search NOUN njb-45 46 34 [ [ PUNCT njb-45 46 35 6 6 NUM njb-45 46 36 ] ] PUNCT njb-45 46 37 . . PUNCT njb-45 47 1 fragment fragment ADJ njb-45 47 2 positioning positioning NOUN njb-45 47 3 methods method NOUN njb-45 47 4 basically basically ADV njb-45 47 5 these these DET njb-45 47 6 methods method NOUN njb-45 47 7 are be AUX njb-45 47 8 based base VERB njb-45 47 9 on on ADP njb-45 47 10 the the DET njb-45 47 11 selection selection NOUN njb-45 47 12 of of ADP njb-45 47 13 structures structure NOUN njb-45 47 14 of of ADP njb-45 47 15 individual individual ADJ njb-45 47 16 functional functional ADJ njb-45 47 17 groups group NOUN njb-45 47 18 or or CCONJ njb-45 47 19 fragments fragment NOUN njb-45 47 20 from from ADP njb-45 47 21 predefined predefine VERB njb-45 47 22 library library NOUN njb-45 47 23 which which PRON njb-45 47 24 fill fill VERB njb-45 47 25 the the DET njb-45 47 26 active active ADJ njb-45 47 27 site site NOUN njb-45 47 28 of of ADP njb-45 47 29 enzyme enzyme NOUN njb-45 47 30 [ [ PUNCT njb-45 47 31 5 5 NUM njb-45 47 32 ] ] PUNCT njb-45 47 33 . . PUNCT njb-45 48 1 two two NUM njb-45 48 2 well well ADV njb-45 48 3 - - PUNCT njb-45 48 4 known know VERB njb-45 48 5 programs program NOUN njb-45 48 6 which which PRON njb-45 48 7 predict predict VERB njb-45 48 8 energetically energetically ADV njb-45 48 9 favorable favorable ADJ njb-45 48 10 binding bind VERB njb-45 48 11 site site NOUN njb-45 48 12 positions position NOUN njb-45 48 13 for for ADP njb-45 48 14 chemical chemical NOUN njb-45 48 15 fragments fragment NOUN njb-45 48 16 are be AUX njb-45 48 17 grid grid ADJ njb-45 48 18 and and CCONJ njb-45 48 19 mcss mcss PROPN njb-45 48 20 ( ( PUNCT njb-45 48 21 multiple multiple ADJ njb-45 48 22 copy copy NOUN njb-45 48 23 simultaneous simultaneous ADJ njb-45 48 24 search search NOUN njb-45 48 25 ) ) PUNCT njb-45 48 26 . . PUNCT njb-45 49 1 grid grid NOUN njb-45 49 2 calculates calculate VERB njb-45 49 3 protein protein NOUN njb-45 49 4 interaction interaction NOUN njb-45 49 5 energies energy NOUN njb-45 49 6 for for ADP njb-45 49 7 functional functional ADJ njb-45 49 8 groups group NOUN njb-45 49 9 on on ADP njb-45 49 10 a a DET njb-45 49 11 grid grid NOUN njb-45 49 12 surrounding surround VERB njb-45 49 13 the the DET njb-45 49 14 target target NOUN njb-45 49 15 structure structure NOUN njb-45 49 16 . . PUNCT njb-45 50 1 it it PRON njb-45 50 2 includes include VERB njb-45 50 3 non non ADJ njb-45 50 4 - - ADJ njb-45 50 5 bonded bond VERB njb-45 50 6 interaction interaction NOUN njb-45 50 7 like like ADP njb-45 50 8 hydrogen hydrogen NOUN njb-45 50 9 bonding bonding NOUN njb-45 50 10 , , PUNCT njb-45 50 11 electrostatic electrostatic ADJ njb-45 50 12 and and CCONJ njb-45 50 13 van van PROPN njb-45 50 14 der der ADJ njb-45 50 15 waals waal NOUN njb-45 50 16 . . PUNCT njb-45 51 1 it it PRON njb-45 51 2 is be AUX njb-45 51 3 mainly mainly ADV njb-45 51 4 useful useful ADJ njb-45 51 5 for for ADP njb-45 51 6 modifying modify VERB njb-45 51 7 existing exist VERB njb-45 51 8 lead lead NOUN njb-45 51 9 compounds compound NOUN njb-45 51 10 . . PUNCT njb-45 52 1 limitation limitation NOUN njb-45 52 2 of of ADP njb-45 52 3 grid grid NOUN njb-45 52 4 is be AUX njb-45 52 5 that that SCONJ njb-45 52 6 the the DET njb-45 52 7 sphere sphere NOUN njb-45 52 8 probe probe NOUN njb-45 52 9 must must AUX njb-45 52 10 be be AUX njb-45 52 11 nepal nepal ADJ njb-45 52 12     SPACE njb-45 52 13 journal journal NOUN njb-45 52 14     SPACE njb-45 52 15 of of ADP njb-45 52 16     SPACE njb-45 52 17 biotechnology biotechnology NOUN njb-45 52 18 . . PUNCT njb-45 52 19         SPACE njb-45 53 1 dec dec PROPN njb-45 53 2 . . PROPN njb-45 53 3     SPACE njb-45 53 4 2011 2011 NUM njb-45 53 5 , , PUNCT njb-45 53 6     SPACE njb-45 53 7 vol vol NOUN njb-45 53 8 . . PUNCT njb-45 53 9     SPACE njb-45 53 10 2 2 NUM njb-45 53 11 , , PUNCT njb-45 53 12     SPACE njb-45 53 13 no no INTJ njb-45 53 14 . . PUNCT njb-45 53 15     SPACE njb-45 54 1 1 1 NUM njb-45 54 2 : : PUNCT njb-45 54 3     SPACE njb-45 54 4 53 53 NUM njb-45 54 5 – – PUNCT njb-45 54 6     SPACE njb-45 54 7 61 61 NUM njb-45 54 8                                                                                                                                                                                                                                             SPACE njb-45 54 9 biotechnology biotechnology NOUN njb-45 54 10     SPACE njb-45 54 11 society society NOUN njb-45 54 12     SPACE njb-45 54 13 of of ADP njb-45 54 14     SPACE njb-45 54 15 nepal nepal NOUN njb-45 54 16     SPACE njb-45 54 17 ( ( PUNCT njb-45 54 18 bsn bsn PROPN njb-45 54 19 ) ) PUNCT njb-45 54 20 , , PUNCT njb-45 54 21     SPACE njb-45 54 22 all all DET njb-45 54 23     SPACE njb-45 54 24 rights right NOUN njb-45 54 25     SPACE njb-45 54 26 reserved reserve VERB njb-45 54 27         SPACE njb-45 54 28 56 56 NUM njb-45 54 29     SPACE njb-45 54 30 capable capable ADJ njb-45 54 31 of of ADP njb-45 54 32 making make VERB njb-45 54 33 hydrogen hydrogen NOUN njb-45 54 34 bonds bond NOUN njb-45 54 35 and and CCONJ njb-45 54 36 must must AUX njb-45 54 37 not not PART njb-45 54 38 be be AUX njb-45 54 39 in in ADP njb-45 54 40 a a DET njb-45 54 41 linear linear ADJ njb-45 54 42 arrangement arrangement NOUN njb-45 54 43 [ [ PUNCT njb-45 54 44 6 6 NUM njb-45 54 45 ] ] PUNCT njb-45 54 46 . . PUNCT njb-45 55 1 in in ADP njb-45 55 2 mcss mcss PROPN njb-45 55 3 method method NOUN njb-45 55 4 , , PUNCT njb-45 55 5 the the DET njb-45 55 6 probes probe NOUN njb-45 55 7 are be AUX njb-45 55 8 fully fully ADV njb-45 55 9 flexible flexible ADJ njb-45 55 10 and and CCONJ njb-45 55 11 individual individual ADJ njb-45 55 12 atoms atom NOUN njb-45 55 13 are be AUX njb-45 55 14 represented represent VERB njb-45 55 15 by by ADP njb-45 55 16 charmm charmm PROPN njb-45 55 17 potential potential ADJ njb-45 55 18 energy energy NOUN njb-45 55 19 function function NOUN njb-45 55 20 . . PUNCT njb-45 56 1 the the DET njb-45 56 2 de de X njb-45 56 3 novo novo PROPN njb-45 56 4 drug drug NOUN njb-45 56 5 designing design VERB njb-45 56 6 approach approach NOUN njb-45 56 7 involves involve VERB njb-45 56 8 three three NUM njb-45 56 9 steps step NOUN njb-45 56 10 [ [ X njb-45 56 11 6 6 NUM njb-45 56 12 ] ] X njb-45 56 13 . . PUNCT njb-45 57 1 initially initially ADV njb-45 57 2 it it PRON njb-45 57 3 uses use VERB njb-45 57 4 fragment fragment ADJ njb-45 57 5 positioning positioning NOUN njb-45 57 6 method method NOUN njb-45 57 7 . . PUNCT njb-45 58 1 secondly secondly ADV njb-45 58 2 , , PUNCT njb-45 58 3 clustering cluster VERB njb-45 58 4 and and CCONJ njb-45 58 5 connecting connect VERB njb-45 58 6 the the DET njb-45 58 7 optimally optimally ADV njb-45 58 8 placed place VERB njb-45 58 9 molecular molecular ADJ njb-45 58 10 fragments fragment NOUN njb-45 58 11 to to PART njb-45 58 12 form form VERB njb-45 58 13 chemically chemically ADV njb-45 58 14 sensible sensible ADJ njb-45 58 15 candidate candidate NOUN njb-45 58 16 ligands ligand NOUN njb-45 58 17 . . PUNCT njb-45 59 1 finally finally ADV njb-45 59 2 , , PUNCT njb-45 59 3 depicts depict VERB njb-45 59 4 the the DET njb-45 59 5 binding binding NOUN njb-45 59 6 of of ADP njb-45 59 7 proposed propose VERB njb-45 59 8 compounds compound NOUN njb-45 59 9 with with ADP njb-45 59 10 another another PRON njb-45 59 11 and and CCONJ njb-45 59 12 to to ADP njb-45 59 13 existing exist VERB njb-45 59 14 drugs drug NOUN njb-45 59 15 . . PUNCT njb-45 60 1 molecule molecule NOUN njb-45 60 2 growth growth NOUN njb-45 60 3 methods method NOUN njb-45 60 4 a a DET njb-45 60 5 fragment fragment NOUN njb-45 60 6 is be AUX njb-45 60 7 fitted fit VERB njb-45 60 8 in in ADP njb-45 60 9 the the DET njb-45 60 10 binding bind VERB njb-45 60 11 site site NOUN njb-45 60 12 of of ADP njb-45 60 13 the the DET njb-45 60 14 target target NOUN njb-45 60 15 structure structure NOUN njb-45 60 16 while while SCONJ njb-45 60 17 ligand ligand NOUN njb-45 60 18 molecule molecule NOUN njb-45 60 19 is be AUX njb-45 60 20 successively successively ADV njb-45 60 21 built build VERB njb-45 60 22 by by ADP njb-45 60 23 bonding bond VERB njb-45 60 24 a a DET njb-45 60 25 further further ADJ njb-45 60 26 fragment fragment NOUN njb-45 60 27 to to ADP njb-45 60 28 it it PRON njb-45 60 29 . . PUNCT njb-45 61 1 there there PRON njb-45 61 2 are be VERB njb-45 61 3 various various ADJ njb-45 61 4 molecule molecule NOUN njb-45 61 5 growth growth NOUN njb-45 61 6 methods method NOUN njb-45 61 7 are be AUX njb-45 61 8 available available ADJ njb-45 61 9 , , PUNCT njb-45 61 10 including include VERB njb-45 61 11 smog smog NOUN njb-45 61 12 ( ( PUNCT njb-45 61 13 small small ADJ njb-45 61 14 molecule molecule NOUN njb-45 61 15 growth growth NOUN njb-45 61 16 ) ) PUNCT njb-45 61 17 , , PUNCT njb-45 61 18 growmol growmol PROPN njb-45 61 19 , , PUNCT njb-45 61 20 groupbuild groupbuild PROPN njb-45 61 21 and and CCONJ njb-45 61 22 genstar genstar PROPN njb-45 61 23 . . PUNCT njb-45 62 1 smog smog PROPN njb-45 62 2 uses use VERB njb-45 62 3 simple simple ADJ njb-45 62 4 model model NOUN njb-45 62 5 for for ADP njb-45 62 6 ligand ligand NOUN njb-45 62 7 - - PUNCT njb-45 62 8 protein protein NOUN njb-45 62 9 interactions interaction NOUN njb-45 62 10 as as ADV njb-45 62 11 well well ADV njb-45 62 12 as as ADP njb-45 62 13 a a DET njb-45 62 14 knowledge knowledge NOUN njb-45 62 15 - - PUNCT njb-45 62 16 based base VERB njb-45 62 17 potential potential NOUN njb-45 62 18 . . PUNCT njb-45 63 1 a a DET njb-45 63 2 large large ADJ njb-45 63 3 number number NOUN njb-45 63 4 of of ADP njb-45 63 5 structures structure NOUN njb-45 63 6 are be AUX njb-45 63 7 statistically statistically ADV njb-45 63 8 analyzed analyze VERB njb-45 63 9 by by ADP njb-45 63 10 an an DET njb-45 63 11 efficient efficient ADJ njb-45 63 12 monte monte PROPN njb-45 63 13 carlo carlo PROPN njb-45 63 14 molecular molecular PROPN njb-45 63 15 growth growth PROPN njb-45 63 16 algorithm algorithm NOUN njb-45 63 17 that that PRON njb-45 63 18 generates generate VERB njb-45 63 19 molecules molecule NOUN njb-45 63 20 through through ADP njb-45 63 21 the the DET njb-45 63 22 adjoining adjoining NOUN njb-45 63 23 of of ADP njb-45 63 24 functional functional ADJ njb-45 63 25 groups group NOUN njb-45 63 26 directly directly ADV njb-45 63 27 in in ADP njb-45 63 28 the the DET njb-45 63 29 binding bind VERB njb-45 63 30 region region NOUN njb-45 63 31 [ [ PUNCT njb-45 63 32 7 7 NUM njb-45 63 33 ] ] X njb-45 63 34 . . PUNCT njb-45 64 1 growmol growmol PROPN njb-45 64 2 generates generate VERB njb-45 64 3 ligand ligand NOUN njb-45 64 4 structures structure NOUN njb-45 64 5 from from ADP njb-45 64 6 a a DET njb-45 64 7 library library NOUN njb-45 64 8 of of ADP njb-45 64 9 atom atom NOUN njb-45 64 10 as as ADV njb-45 64 11 well well ADV njb-45 64 12 as as ADP njb-45 64 13 small small ADJ njb-45 64 14 functional functional ADJ njb-45 64 15 group group NOUN njb-45 64 16 types type NOUN njb-45 64 17 and and CCONJ njb-45 64 18 is be AUX njb-45 64 19 scored score VERB njb-45 64 20 based base VERB njb-45 64 21 on on ADP njb-45 64 22 its its PRON njb-45 64 23 chemical chemical ADJ njb-45 64 24 complementarities complementarity NOUN njb-45 64 25 with with ADP njb-45 64 26 nearby nearby ADJ njb-45 64 27 atoms atom NOUN njb-45 64 28 to to ADP njb-45 64 29 the the DET njb-45 64 30 binding bind VERB njb-45 64 31 site site NOUN njb-45 64 32 of of ADP njb-45 64 33 the the DET njb-45 64 34 target target NOUN njb-45 64 35 . . PUNCT njb-45 65 1 groupbuild groupbuild PROPN njb-45 65 2 is be AUX njb-45 65 3 similar similar ADJ njb-45 65 4 to to ADP njb-45 65 5 growmol growmol PROPN njb-45 65 6 , , PUNCT njb-45 65 7 it it PRON njb-45 65 8 uses use VERB njb-45 65 9 a a DET njb-45 65 10 predefined predefine VERB njb-45 65 11 library library NOUN njb-45 65 12 of of ADP njb-45 65 13 chemical chemical NOUN njb-45 65 14 fragments fragment NOUN njb-45 65 15 and and CCONJ njb-45 65 16 scores score VERB njb-45 65 17 candidate candidate NOUN njb-45 65 18 fragment fragment ADJ njb-45 65 19 positions position NOUN njb-45 65 20 depending depend VERB njb-45 65 21 on on ADP njb-45 65 22 force force NOUN njb-45 65 23 field field NOUN njb-45 65 24 to to PART njb-45 65 25 get get VERB njb-45 65 26 candidate candidate NOUN njb-45 65 27 small small ADJ njb-45 65 28 molecule molecule NOUN njb-45 65 29 ligands ligand NOUN njb-45 65 30 fragment fragment ADJ njb-45 65 31 by by ADP njb-45 65 32 fragement fragement PROPN njb-45 65 33 . . PUNCT njb-45 66 1 genstar genstar PROPN njb-45 66 2 generates generate VERB njb-45 66 3 chemically chemically ADV njb-45 66 4 reasonable reasonable ADJ njb-45 66 5 structure structure NOUN njb-45 66 6 which which PRON njb-45 66 7 fills fill VERB njb-45 66 8 active active ADJ njb-45 66 9 site site NOUN njb-45 66 10 of of ADP njb-45 66 11 enzyme enzyme NOUN njb-45 66 12 . . PUNCT njb-45 67 1 the the DET njb-45 67 2 proposed propose VERB njb-45 67 3 molecules molecule NOUN njb-45 67 4 provide provide VERB njb-45 67 5 good good ADJ njb-45 67 6 steric steric ADJ njb-45 67 7 contact contact NOUN njb-45 67 8 with with ADP njb-45 67 9 the the DET njb-45 67 10 enzyme enzyme NOUN njb-45 67 11 and and CCONJ njb-45 67 12 also also ADV njb-45 67 13 exist exist VERB njb-45 67 14 in in ADP njb-45 67 15 low low ADJ njb-45 67 16 energy energy NOUN njb-45 67 17 conformation conformation NOUN njb-45 67 18 . . PUNCT njb-45 68 1 these these DET njb-45 68 2 structures structure NOUN njb-45 68 3 consist consist VERB njb-45 68 4 of of ADP njb-45 68 5 sp3 sp3 ADJ njb-45 68 6 hybridized hybridize VERB njb-45 68 7 carbons carbon NOUN njb-45 68 8 which which PRON njb-45 68 9 are be AUX njb-45 68 10 grown grow VERB njb-45 68 11 sequentially sequentially ADV njb-45 68 12 , , PUNCT njb-45 68 13 but but CCONJ njb-45 68 14 which which PRON njb-45 68 15 can can AUX njb-45 68 16 also also ADV njb-45 68 17 branch branch VERB njb-45 68 18 or or CCONJ njb-45 68 19 form form VERB njb-45 68 20 rings ring NOUN njb-45 68 21 . . PUNCT njb-45 69 1 atoms atom NOUN njb-45 69 2 are be AUX njb-45 69 3 grown grow VERB njb-45 69 4 from from ADP njb-45 69 5 predocked predocke VERB njb-45 69 6 inhibitor inhibitor NOUN njb-45 69 7 core core NOUN njb-45 69 8 . . PUNCT njb-45 70 1 for for ADP njb-45 70 2 each each DET njb-45 70 3 new new ADJ njb-45 70 4 atom atom NOUN njb-45 70 5 generated generate VERB njb-45 70 6 by by ADP njb-45 70 7 the the DET njb-45 70 8 program program NOUN njb-45 70 9 , , PUNCT njb-45 70 10 several several ADJ njb-45 70 11 hundred hundred NUM njb-45 70 12 candidate candidate NOUN njb-45 70 13 positions position NOUN njb-45 70 14 representing represent VERB njb-45 70 15 a a DET njb-45 70 16 range range NOUN njb-45 70 17 of of ADP njb-45 70 18 reasonable reasonable ADJ njb-45 70 19 bond bond NOUN njb-45 70 20 lengths length NOUN njb-45 70 21 , , PUNCT njb-45 70 22 bond bond NOUN njb-45 70 23 angles angle NOUN njb-45 70 24 , , PUNCT njb-45 70 25 and and CCONJ njb-45 70 26 torsion torsion NOUN njb-45 70 27 angles angle NOUN njb-45 70 28 are be AUX njb-45 70 29 considered consider VERB njb-45 70 30 . . PUNCT njb-45 71 1 then then ADV njb-45 71 2 , , PUNCT njb-45 71 3 each each DET njb-45 71 4 candidate candidate NOUN njb-45 71 5 is be AUX njb-45 71 6 scored score VERB njb-45 71 7 , , PUNCT njb-45 71 8 with with ADP njb-45 71 9 a a DET njb-45 71 10 simple simple ADJ njb-45 71 11 enzyme enzyme NOUN njb-45 71 12 contact contact NOUN njb-45 71 13 model model NOUN njb-45 71 14 . . PUNCT njb-45 72 1 from from ADP njb-45 72 2 the the DET njb-45 72 3 highest high ADJ njb-45 72 4 scoring scoring NOUN njb-45 72 5 cases case NOUN njb-45 72 6 , , PUNCT njb-45 72 7 positions position NOUN njb-45 72 8 are be AUX njb-45 72 9 chosen choose VERB njb-45 72 10 at at ADP njb-45 72 11 random random NOUN njb-45 72 12 . . PUNCT njb-45 73 1 duplicate duplicate VERB njb-45 73 2 structures structure NOUN njb-45 73 3 may may AUX njb-45 73 4 be be AUX njb-45 73 5 removed remove VERB njb-45 73 6 applying apply VERB njb-45 73 7 variety variety NOUN njb-45 73 8 of of ADP njb-45 73 9 criteria criterion NOUN njb-45 73 10 . . PUNCT njb-45 74 1 energy energy NOUN njb-45 74 2 of of ADP njb-45 74 3 compounds compound NOUN njb-45 74 4 may may AUX njb-45 74 5 be be AUX njb-45 74 6 minimized minimize VERB njb-45 74 7 and and CCONJ njb-45 74 8 displayed display VERB njb-45 74 9 using use VERB njb-45 74 10 standard standard ADJ njb-45 74 11 modeling modeling NOUN njb-45 74 12 programs program NOUN njb-45 74 13 . . PUNCT njb-45 75 1 fragment fragment ADJ njb-45 75 2 methods method NOUN njb-45 75 3 coupled couple VERB njb-45 75 4 to to ADP njb-45 75 5 database database NOUN njb-45 75 6 searches search NOUN njb-45 75 7 it it PRON njb-45 75 8 is be AUX njb-45 75 9 an an DET njb-45 75 10 integrated integrated ADJ njb-45 75 11 approach approach NOUN njb-45 75 12 for for ADP njb-45 75 13 fragment fragment ADJ njb-45 75 14 nepal nepal ADJ njb-45 75 15     SPACE njb-45 75 16 journal journal NOUN njb-45 75 17     SPACE njb-45 75 18 of of ADP njb-45 75 19     SPACE njb-45 75 20 biotechnology biotechnology NOUN njb-45 75 21 . . PUNCT njb-45 75 22         SPACE njb-45 76 1 dec dec PROPN njb-45 76 2 . . PROPN njb-45 76 3     SPACE njb-45 76 4 2011 2011 NUM njb-45 76 5 , , PUNCT njb-45 76 6     SPACE njb-45 76 7 vol vol NOUN njb-45 76 8 . . PUNCT njb-45 76 9     SPACE njb-45 76 10 2 2 NUM njb-45 76 11 , , PUNCT njb-45 76 12     SPACE njb-45 76 13 no no INTJ njb-45 76 14 . . PUNCT njb-45 76 15     SPACE njb-45 77 1 1 1 NUM njb-45 77 2 : : PUNCT njb-45 77 3     SPACE njb-45 77 4 53 53 NUM njb-45 77 5 – – PUNCT njb-45 77 6     SPACE njb-45 77 7 61 61 NUM njb-45 77 8                                                                                                                                                                                                                                             SPACE njb-45 77 9 biotechnology biotechnology NOUN njb-45 77 10     SPACE njb-45 77 11 society society NOUN njb-45 77 12     SPACE njb-45 77 13 of of ADP njb-45 77 14     SPACE njb-45 77 15 nepal nepal NOUN njb-45 77 16     SPACE njb-45 77 17 ( ( PUNCT njb-45 77 18 bsn bsn PROPN njb-45 77 19 ) ) PUNCT njb-45 77 20 , , PUNCT njb-45 77 21     SPACE njb-45 77 22 all all DET njb-45 77 23     SPACE njb-45 77 24 rights right NOUN njb-45 77 25     SPACE njb-45 77 26 reserved reserve VERB njb-45 77 27         SPACE njb-45 77 28 57 57 NUM njb-45 77 29     SPACE njb-45 77 30 positioning positioning NOUN njb-45 77 31 methods method NOUN njb-45 77 32 and and CCONJ njb-45 77 33 database database NOUN njb-45 77 34 searching search VERB njb-45 77 35 techniques technique NOUN njb-45 77 36 either either CCONJ njb-45 77 37 to to PART njb-45 77 38 extract extract VERB njb-45 77 39 those those DET njb-45 77 40 existing exist VERB njb-45 77 41 molecules molecule NOUN njb-45 77 42 from from ADP njb-45 77 43 a a DET njb-45 77 44 database database NOUN njb-45 77 45 that that PRON njb-45 77 46 can can AUX njb-45 77 47 be be AUX njb-45 77 48 docked dock VERB njb-45 77 49 with with ADP njb-45 77 50 the the DET njb-45 77 51 preferred preferred ADJ njb-45 77 52 fragments fragment NOUN njb-45 77 53 in in ADP njb-45 77 54 their their PRON njb-45 77 55 most most ADV njb-45 77 56 favorable favorable ADJ njb-45 77 57 positions position NOUN njb-45 77 58 into into ADP njb-45 77 59 the the DET njb-45 77 60 binding bind VERB njb-45 77 61 site site NOUN njb-45 77 62 or or CCONJ njb-45 77 63 for for ADP njb-45 77 64 de de X njb-45 77 65 novo novo X njb-45 77 66 design design NOUN njb-45 77 67 . . PUNCT njb-45 78 1 hook hook NOUN njb-45 78 2 generates generate VERB njb-45 78 3 a a DET njb-45 78 4 database database NOUN njb-45 78 5 of of ADP njb-45 78 6 molecular molecular ADJ njb-45 78 7 skeletons skeleton NOUN njb-45 78 8 without without ADP njb-45 78 9 involving involve VERB njb-45 78 10 functional functional ADJ njb-45 78 11 groups group NOUN njb-45 78 12 on on ADP njb-45 78 13 the the DET njb-45 78 14 database database NOUN njb-45 78 15 molecules molecule NOUN njb-45 78 16 and and CCONJ njb-45 78 17 then then ADV njb-45 78 18 fit fit VERB njb-45 78 19 molecular molecular ADJ njb-45 78 20 skeletons skeleton NOUN njb-45 78 21 into into ADP njb-45 78 22 the the DET njb-45 78 23 target target NOUN njb-45 78 24 binding bind VERB njb-45 78 25 site site NOUN njb-45 78 26 such such ADJ njb-45 78 27 that that SCONJ njb-45 78 28 two two NUM njb-45 78 29 mcss mcss PROPN njb-45 78 30 functional functional ADJ njb-45 78 31 group group NOUN njb-45 78 32 minima minima PROPN njb-45 78 33 can can AUX njb-45 78 34 be be AUX njb-45 78 35 hooked hook VERB njb-45 78 36 by by ADP njb-45 78 37 using use VERB njb-45 78 38 docking docking NOUN njb-45 78 39 . . PUNCT njb-45 79 1 then then ADV njb-45 79 2 , , PUNCT njb-45 79 3 it it PRON njb-45 79 4 undergoes undergo VERB njb-45 79 5 geometrical geometrical ADJ njb-45 79 6 superposition superposition NOUN njb-45 79 7 of of ADP njb-45 79 8 two two NUM njb-45 79 9 designated designate VERB njb-45 79 10 hooks hook NOUN njb-45 79 11 in in ADP njb-45 79 12 the the DET njb-45 79 13 skeletal skeletal ADJ njb-45 79 14 molecules molecule NOUN njb-45 79 15 and and CCONJ njb-45 79 16 finally finally ADV njb-45 79 17 using use VERB njb-45 79 18 inverted invert VERB njb-45 79 19 lennardjones lennardjones ADJ njb-45 79 20 type type NOUN njb-45 79 21 contact contact NOUN njb-45 79 22 potential potential NOUN njb-45 79 23 , , PUNCT njb-45 79 24 the the DET njb-45 79 25 fit fit NOUN njb-45 79 26 of of ADP njb-45 79 27 the the DET njb-45 79 28 skeleton skeleton NOUN njb-45 79 29 in in ADP njb-45 79 30 the the DET njb-45 79 31 binding bind VERB njb-45 79 32 site site NOUN njb-45 79 33 in in ADP njb-45 79 34 two two NUM njb-45 79 35 functional functional ADJ njb-45 79 36 group group NOUN njb-45 79 37 minima minima PROPN njb-45 79 38 , , PUNCT njb-45 79 39 is be AUX njb-45 79 40 scored score VERB njb-45 79 41 . . PUNCT njb-45 80 1 after after ADP njb-45 80 2 validating validate VERB njb-45 80 3 scores score NOUN njb-45 80 4 , , PUNCT njb-45 80 5 secondary secondary ADJ njb-45 80 6 searches search NOUN njb-45 80 7 are be AUX njb-45 80 8 carried carry VERB njb-45 80 9 out out ADP njb-45 80 10 to to PART njb-45 80 11 attach attach VERB njb-45 80 12 additional additional ADJ njb-45 80 13 mcss mcss PROPN njb-45 80 14 minima minima PROPN njb-45 80 15 to to ADP njb-45 80 16 the the DET njb-45 80 17 skeleton skeleton PROPN njb-45 80 18 , , PUNCT njb-45 80 19 if if SCONJ njb-45 80 20 fit fit ADJ njb-45 80 21 is be AUX njb-45 80 22 acceptable acceptable ADJ njb-45 80 23 [ [ X njb-45 80 24 6 6 NUM njb-45 80 25 ] ] X njb-45 80 26 . . PUNCT njb-45 81 1 caveat caveat NOUN njb-45 81 2 is be AUX njb-45 81 3 comparatively comparatively ADV njb-45 81 4 faster fast ADJ njb-45 81 5 method method NOUN njb-45 81 6 due due ADP njb-45 81 7 to to ADP njb-45 81 8 consideration consideration NOUN njb-45 81 9 of of ADP njb-45 81 10 interaction interaction NOUN njb-45 81 11 between between ADP njb-45 81 12 the the DET njb-45 81 13 skeletal skeletal ADJ njb-45 81 14 molecule molecule NOUN njb-45 81 15 and and CCONJ njb-45 81 16 the the DET njb-45 81 17 binding bind VERB njb-45 81 18 site site NOUN njb-45 81 19 in in ADP njb-45 81 20 post post NOUN njb-45 81 21 processing processing NOUN njb-45 81 22 step step NOUN njb-45 81 23 . . PUNCT njb-45 82 1 it it PRON njb-45 82 2 is be AUX njb-45 82 3 similar similar ADJ njb-45 82 4 to to PART njb-45 82 5 hook hook VERB njb-45 82 6 in in ADP njb-45 82 7 that that SCONJ njb-45 82 8 it it PRON njb-45 82 9 involves involve VERB njb-45 82 10 searching search VERB njb-45 82 11 of of ADP njb-45 82 12 a a DET njb-45 82 13 database database NOUN njb-45 82 14 of of ADP njb-45 82 15 threedimensional threedimensional ADJ njb-45 82 16 structures structure NOUN njb-45 82 17 of of ADP njb-45 82 18 small small ADJ njb-45 82 19 cyclic cyclic ADJ njb-45 82 20 molecules molecule NOUN njb-45 82 21 to to PART njb-45 82 22 connect connect VERB njb-45 82 23 optimally optimally ADV njb-45 82 24 placed place VERB njb-45 82 25 fragments fragment NOUN njb-45 82 26 in in ADP njb-45 82 27 the the DET njb-45 82 28 binding bind VERB njb-45 82 29 site site NOUN njb-45 82 30 . . PUNCT njb-45 83 1 in in ADP njb-45 83 2 the the DET njb-45 83 3 database database NOUN njb-45 83 4 , , PUNCT njb-45 83 5 specific specific ADJ njb-45 83 6 bonds bond NOUN njb-45 83 7 of of ADP njb-45 83 8 each each DET njb-45 83 9 molecule molecule NOUN njb-45 83 10 are be AUX njb-45 83 11 represented represent VERB njb-45 83 12 as as ADP njb-45 83 13 vectors vector NOUN njb-45 83 14 , , PUNCT njb-45 83 15 and and CCONJ njb-45 83 16 the the DET njb-45 83 17 molecule molecule NOUN njb-45 83 18 is be AUX njb-45 83 19 specified specify VERB njb-45 83 20 as as ADP njb-45 83 21 a a DET njb-45 83 22 set set NOUN njb-45 83 23 of of ADP njb-45 83 24 pairwise pairwise NOUN njb-45 83 25 combinations combination NOUN njb-45 83 26 of of ADP njb-45 83 27 bond bond NOUN njb-45 83 28 vectors vector NOUN njb-45 83 29 . . PUNCT njb-45 84 1 it it PRON njb-45 84 2 finds find VERB njb-45 84 3 matches match NOUN njb-45 84 4 between between ADP njb-45 84 5 pairs pair NOUN njb-45 84 6 of of ADP njb-45 84 7 bond bond NOUN njb-45 84 8 vectors vector NOUN njb-45 84 9 from from ADP njb-45 84 10 the the DET njb-45 84 11 fragments fragment NOUN njb-45 84 12 of of ADP njb-45 84 13 the the DET njb-45 84 14 query query NOUN njb-45 84 15 molecules molecule NOUN njb-45 84 16 and and CCONJ njb-45 84 17 the the DET njb-45 84 18 database database NOUN njb-45 84 19 molecules molecule NOUN njb-45 84 20 [ [ PUNCT njb-45 84 21 6 6 NUM njb-45 84 22 ] ] PUNCT njb-45 84 23 . . PUNCT njb-45 85 1 c. c. PROPN njb-45 85 2 ligand ligand PROPN njb-45 85 3 binding bind VERB njb-45 85 4 scoring scoring NOUN njb-45 85 5 functions function NOUN njb-45 85 6 the the DET njb-45 85 7 ligands ligand NOUN njb-45 85 8 binding bind VERB njb-45 85 9 scoring scoring NOUN njb-45 85 10 functions function NOUN njb-45 85 11 are be AUX njb-45 85 12 major major ADJ njb-45 85 13 determinant determinant NOUN njb-45 85 14 of of ADP njb-45 85 15 the the DET njb-45 85 16 accuracy accuracy NOUN njb-45 85 17 of of ADP njb-45 85 18 scoring scoring NOUN njb-45 85 19 functions function NOUN njb-45 85 20 that that PRON njb-45 85 21 ranks rank VERB njb-45 85 22 the the DET njb-45 85 23 lead lead NOUN njb-45 85 24 compounds compound NOUN njb-45 85 25 . . PUNCT njb-45 86 1 factors factor NOUN njb-45 86 2 which which PRON njb-45 86 3 contribute contribute VERB njb-45 86 4 to to ADP njb-45 86 5 ligand ligand NOUN njb-45 86 6 binding binding NOUN njb-45 86 7 include include VERB njb-45 86 8 hydrophobic hydrophobic NOUN njb-45 86 9 effect effect NOUN njb-45 86 10 , , PUNCT njb-45 86 11 dispersion dispersion NOUN njb-45 86 12 interactions interaction NOUN njb-45 86 13 , , PUNCT njb-45 86 14 hydrogen hydrogen NOUN njb-45 86 15 bonding bonding NOUN njb-45 86 16 , , PUNCT njb-45 86 17 other other ADJ njb-45 86 18 electrostatic electrostatic ADJ njb-45 86 19 interactions interaction NOUN njb-45 86 20 and and CCONJ njb-45 86 21 solvation solvation NOUN njb-45 86 22 effects effect NOUN njb-45 86 23 . . PUNCT njb-45 87 1 with with ADP njb-45 87 2 increasing increase VERB njb-45 87 3 complexity complexity NOUN njb-45 87 4 , , PUNCT njb-45 87 5 the the DET njb-45 87 6 various various ADJ njb-45 87 7 approaches approach NOUN njb-45 87 8 for for ADP njb-45 87 9 estimating estimate VERB njb-45 87 10 binding binding ADJ njb-45 87 11 affinities affinity NOUN njb-45 87 12 include include VERB njb-45 87 13 scoring scoring NOUN njb-45 87 14 functions function NOUN njb-45 87 15 based base VERB njb-45 87 16 on on ADP njb-45 87 17 statistical statistical ADJ njb-45 87 18 analysis analysis NOUN njb-45 87 19 of of ADP njb-45 87 20 known know VERB njb-45 87 21 structure structure NOUN njb-45 87 22 of of ADP njb-45 87 23 protein protein NOUN njb-45 87 24 ligand ligand NOUN njb-45 87 25 complexes complex NOUN njb-45 87 26 , , PUNCT njb-45 87 27 physicochemical physicochemical ADJ njb-45 87 28 properties property NOUN njb-45 87 29 , , PUNCT njb-45 87 30 force force NOUN njb-45 87 31 field field NOUN njb-45 87 32 calculations calculation NOUN njb-45 87 33 , , PUNCT njb-45 87 34 force force NOUN njb-45 87 35 field field NOUN njb-45 87 36 calculation calculation NOUN njb-45 87 37 with with ADP njb-45 87 38 added add VERB njb-45 87 39 solvation solvation NOUN njb-45 87 40 corrections correction NOUN njb-45 87 41 and and CCONJ njb-45 87 42 free free ADJ njb-45 87 43 energy energy NOUN njb-45 87 44 perturbation perturbation NOUN njb-45 87 45 ( ( PUNCT njb-45 87 46 fep fep NOUN njb-45 87 47 ) ) PUNCT njb-45 87 48 calculations calculation NOUN njb-45 87 49 . . PUNCT njb-45 88 1 smog smog PROPN njb-45 88 2 pseudo pseudo PROPN njb-45 88 3 energy energy NOUN njb-45 88 4 function function NOUN njb-45 88 5 is be AUX njb-45 88 6 a a DET njb-45 88 7 scoring scoring NOUN njb-45 88 8 function function NOUN njb-45 88 9 based base VERB njb-45 88 10 on on ADP njb-45 88 11 statistical statistical ADJ njb-45 88 12 analysis analysis NOUN njb-45 88 13 of of ADP njb-45 88 14 high high ADJ njb-45 88 15 resolution resolution NOUN njb-45 88 16 x x NOUN njb-45 88 17 ray ray NOUN njb-45 88 18 structure structure NOUN njb-45 88 19 . . PUNCT njb-45 89 1 currently currently ADV njb-45 89 2 knowledge knowledge PROPN njb-45 89 3 based base VERB njb-45 89 4 , , PUNCT njb-45 89 5 regression regression NOUN njb-45 89 6 based base VERB njb-45 89 7 and and CCONJ njb-45 89 8 first first ADJ njb-45 89 9 principle principle NOUN njb-45 89 10 based base VERB njb-45 89 11 methods method NOUN njb-45 89 12 have have AUX njb-45 89 13 been be AUX njb-45 89 14 developed develop VERB njb-45 89 15 to to PART njb-45 89 16 rank rank NOUN njb-45 89 17 lead lead NOUN njb-45 89 18 compounds compound NOUN njb-45 89 19 [ [ X njb-45 89 20 8 8 NUM njb-45 89 21 ] ] PUNCT njb-45 89 22 . . PUNCT njb-45 90 1 4 4 X njb-45 90 2 . . X njb-45 90 3 case case NOUN njb-45 90 4 study study NOUN njb-45 90 5 in in ADP njb-45 90 6 the the DET njb-45 90 7 ras ras PROPN njb-45 90 8 subfamily subfamily ADV njb-45 90 9 , , PUNCT njb-45 90 10 mainly mainly ADV njb-45 90 11 k k PROPN njb-45 90 12 - - PUNCT njb-45 90 13 ras ras PROPN njb-45 90 14 , , PUNCT njb-45 90 15 h h PROPN njb-45 90 16 - - PUNCT njb-45 90 17 ras ras PROPN njb-45 90 18 and and CCONJ njb-45 90 19 n n NOUN njb-45 90 20 - - PUNCT njb-45 90 21 ras ras PROPN njb-45 90 22 codes code NOUN njb-45 90 23 for for ADP njb-45 90 24 those those DET njb-45 90 25 proteins protein NOUN njb-45 90 26 which which PRON njb-45 90 27 are be AUX njb-45 90 28 nepal nepal ADJ njb-45 90 29     SPACE njb-45 90 30 journal journal NOUN njb-45 90 31     SPACE njb-45 90 32 of of ADP njb-45 90 33     SPACE njb-45 90 34 biotechnology biotechnology NOUN njb-45 90 35 . . PUNCT njb-45 90 36         SPACE njb-45 91 1 dec dec PROPN njb-45 91 2 . . PROPN njb-45 91 3     SPACE njb-45 91 4 2011 2011 NUM njb-45 91 5 , , PUNCT njb-45 91 6     SPACE njb-45 91 7 vol vol NOUN njb-45 91 8 . . PUNCT njb-45 91 9     SPACE njb-45 91 10 2 2 NUM njb-45 91 11 , , PUNCT njb-45 91 12     SPACE njb-45 91 13 no no INTJ njb-45 91 14 . . PUNCT njb-45 91 15     SPACE njb-45 92 1 1 1 NUM njb-45 92 2 : : PUNCT njb-45 92 3     SPACE njb-45 92 4 53 53 NUM njb-45 92 5 – – PUNCT njb-45 92 6     SPACE njb-45 92 7 61 61 NUM njb-45 92 8                                                                                                                                                                                                                                             SPACE njb-45 92 9 biotechnology biotechnology NOUN njb-45 92 10     SPACE njb-45 92 11 society society NOUN njb-45 92 12     SPACE njb-45 92 13 of of ADP njb-45 92 14     SPACE njb-45 92 15 nepal nepal NOUN njb-45 92 16     SPACE njb-45 92 17 ( ( PUNCT njb-45 92 18 bsn bsn PROPN njb-45 92 19 ) ) PUNCT njb-45 92 20 , , PUNCT njb-45 92 21     SPACE njb-45 92 22 all all DET njb-45 92 23     SPACE njb-45 92 24 rights right NOUN njb-45 92 25     SPACE njb-45 92 26 reserved reserve VERB njb-45 92 27         SPACE njb-45 92 28 58 58 NUM njb-45 92 29     SPACE njb-45 92 30 made make VERB njb-45 92 31 up up ADP njb-45 92 32 of of ADP njb-45 92 33 189 189 NUM njb-45 92 34 amino amino ADJ njb-45 92 35 acids acid NOUN njb-45 92 36 with with ADP njb-45 92 37 molecular molecular ADJ njb-45 92 38 weight weight NOUN njb-45 92 39 21kda 21kda NOUN njb-45 92 40 protein protein NOUN njb-45 92 41 [ [ X njb-45 92 42 9 9 NUM njb-45 92 43 ] ] X njb-45 92 44 . . PUNCT njb-45 93 1 guanosine guanosine NOUN njb-45 93 2 nucleotide nucleotide NOUN njb-45 93 3 binding bind VERB njb-45 93 4 protein protein NOUN njb-45 93 5 or or CCONJ njb-45 93 6 g g NOUN njb-45 93 7 - - PUNCT njb-45 93 8 proteins protein NOUN njb-45 93 9 works work NOUN njb-45 93 10 in in ADP njb-45 93 11 form form NOUN njb-45 93 12 of of ADP njb-45 93 13 signaling signal VERB njb-45 93 14 switches switch NOUN njb-45 93 15 with with ADP njb-45 93 16 two two NUM njb-45 93 17 states state NOUN njb-45 93 18 that that PRON njb-45 93 19 are be AUX njb-45 93 20 active active ADJ njb-45 93 21 and and CCONJ njb-45 93 22 inactive inactive ADJ njb-45 93 23 . . PUNCT njb-45 94 1 usually usually ADV njb-45 94 2 it it PRON njb-45 94 3 is be AUX njb-45 94 4 bound bind VERB njb-45 94 5 to to ADP njb-45 94 6 the the DET njb-45 94 7 nucleotide nucleotide NOUN njb-45 94 8 gdp gdp NOUN njb-45 94 9 in in ADP njb-45 94 10 the the DET njb-45 94 11 inactive inactive ADJ njb-45 94 12 state state NOUN njb-45 94 13 . . PUNCT njb-45 95 1 on on ADP njb-45 95 2 the the DET njb-45 95 3 other other ADJ njb-45 95 4 hand hand NOUN njb-45 95 5 , , PUNCT njb-45 95 6 it it PRON njb-45 95 7 is be AUX njb-45 95 8 bound bind VERB njb-45 95 9 to to AUX njb-45 95 10 gtp gtp PROPN njb-45 95 11 in in ADP njb-45 95 12 the the DET njb-45 95 13 active active ADJ njb-45 95 14 state state NOUN njb-45 95 15 . . PUNCT njb-45 96 1 guanine guanine NOUN njb-45 96 2 nucleotide nucleotide PROPN njb-45 96 3 exchange exchange NOUN njb-45 96 4 factors factor NOUN njb-45 96 5 ( ( PUNCT njb-45 96 6 gefs gef NOUN njb-45 96 7 ) ) PUNCT njb-45 96 8 and and CCONJ njb-45 96 9 gtpase gtpase NOUN njb-45 96 10 activating activate VERB njb-45 96 11 proteins protein NOUN njb-45 96 12 ( ( PUNCT njb-45 96 13 gaps gap NOUN njb-45 96 14 ) ) PUNCT njb-45 96 15 are be AUX njb-45 96 16 mainly mainly ADV njb-45 96 17 used use VERB njb-45 96 18 in in ADP njb-45 96 19 exchanging exchange VERB njb-45 96 20 the the DET njb-45 96 21 bound bind VERB njb-45 96 22 nucleotide nucleotide NOUN njb-45 96 23 . . PUNCT njb-45 97 1 ras ras PROPN njb-45 97 2 is be AUX njb-45 97 3 associated associate VERB njb-45 97 4 with with ADP njb-45 97 5 an an DET njb-45 97 6 intrinsic intrinsic ADJ njb-45 97 7 gtpase gtpase ADJ njb-45 97 8 activity activity NOUN njb-45 97 9 in in ADP njb-45 97 10 which which PRON njb-45 97 11 it it PRON njb-45 97 12 can can AUX njb-45 97 13 hydrolyze hydrolyze VERB njb-45 97 14 bound bind VERB njb-45 97 15 gtp gtp PROPN njb-45 97 16 into into ADP njb-45 97 17 gdp gdp PROPN njb-45 97 18 . . PUNCT njb-45 98 1 but but CCONJ njb-45 98 2 , , PUNCT njb-45 98 3 due due ADP njb-45 98 4 to to ADP njb-45 98 5 its its PRON njb-45 98 6 less less ADJ njb-45 98 7 efficiency efficiency NOUN njb-45 98 8 , , PUNCT njb-45 98 9 rasgap rasgap PROPN njb-45 98 10 is be AUX njb-45 98 11 needed need VERB njb-45 98 12 which which PRON njb-45 98 13 is be AUX njb-45 98 14 formed form VERB njb-45 98 15 by by ADP njb-45 98 16 binding bind VERB njb-45 98 17 of of ADP njb-45 98 18 ras ras PROPN njb-45 98 19 and and CCONJ njb-45 98 20 gap gap NOUN njb-45 98 21 and and CCONJ njb-45 98 22 stabilizes stabilize VERB njb-45 98 23 the the DET njb-45 98 24 ras ras PROPN njb-45 98 25 catalytic catalytic PROPN njb-45 98 26 residues residue NOUN njb-45 98 27 by by ADP njb-45 98 28 releasing release VERB njb-45 98 29 inorganic inorganic ADJ njb-45 98 30 phosphate phosphate NOUN njb-45 98 31 and and CCONJ njb-45 98 32 ultimately ultimately ADV njb-45 98 33 leads lead VERB njb-45 98 34 to to ADP njb-45 98 35 ras ras PROPN njb-45 98 36 molecule molecule PROPN njb-45 98 37 in in ADP njb-45 98 38 gdp gdp NOUN njb-45 98 39 bound bind VERB njb-45 98 40 state state NOUN njb-45 98 41 for for ADP njb-45 98 42 ras ras PROPN njb-45 98 43 inactivation inactivation NOUN njb-45 98 44 . . PUNCT njb-45 99 1 it it PRON njb-45 99 2 has have AUX njb-45 99 3 been be AUX njb-45 99 4 found find VERB njb-45 99 5 that that SCONJ njb-45 99 6 mutations mutation NOUN njb-45 99 7 in in ADP njb-45 99 8 the the DET njb-45 99 9 ras ras PROPN njb-45 99 10 family family PROPN njb-45 99 11 of of ADP njb-45 99 12 proto proto ADJ njb-45 99 13 - - PUNCT njb-45 99 14 oncogenes oncogene NOUN njb-45 99 15 are be AUX njb-45 99 16 very very ADV njb-45 99 17 commonly commonly ADV njb-45 99 18 observed observe VERB njb-45 99 19 in in ADP njb-45 99 20 20 20 NUM njb-45 99 21 % % NOUN njb-45 99 22 to to PART njb-45 99 23 30 30 NUM njb-45 99 24 % % NOUN njb-45 99 25 of of ADP njb-45 99 26 all all DET njb-45 99 27 human human ADJ njb-45 99 28 tumors tumor NOUN njb-45 100 1 [ [ X njb-45 100 2 10].the 10].the DET njb-45 100 3 inappropriate inappropriate ADJ njb-45 100 4 activation activation NOUN njb-45 100 5 of of ADP njb-45 100 6 the the DET njb-45 100 7 gene gene NOUN njb-45 100 8 affects affect VERB njb-45 100 9 malignant malignant ADJ njb-45 100 10 transformation transformation NOUN njb-45 100 11 , , PUNCT njb-45 100 12 proliferation proliferation NOUN njb-45 100 13 and and CCONJ njb-45 100 14 signal signal NOUN njb-45 100 15 transduction transduction NOUN njb-45 101 1 [ [ X njb-45 101 2 11 11 NUM njb-45 101 3 ] ] PUNCT njb-45 101 4 , , PUNCT njb-45 101 5 due due ADP njb-45 101 6 to to ADP njb-45 101 7 which which PRON njb-45 101 8 , , PUNCT njb-45 101 9 the the DET njb-45 101 10 mutated mutated PROPN njb-45 101 11 ras ras PROPN njb-45 101 12 p21 p21 PROPN njb-45 101 13 has have VERB njb-45 101 14 a a DET njb-45 101 15 structure structure NOUN njb-45 101 16 that that PRON njb-45 101 17 disables disable VERB njb-45 101 18 its its PRON njb-45 101 19 ability ability NOUN njb-45 101 20 to to PART njb-45 101 21 bind bind VERB njb-45 101 22 with with ADP njb-45 101 23 gtpase gtpase NOUN njb-45 101 24 activating activate VERB njb-45 101 25 protein protein NOUN njb-45 101 26 ( ( PUNCT njb-45 101 27 gap gap NOUN njb-45 101 28 ) ) PUNCT njb-45 101 29 and and CCONJ njb-45 101 30 creates create VERB njb-45 101 31 an an DET njb-45 101 32 autophosphorylation autophosphorylation NOUN njb-45 101 33 site site NOUN njb-45 101 34 , , PUNCT njb-45 101 35 keeping keep VERB njb-45 101 36 the the DET njb-45 101 37 ras ras PROPN njb-45 101 38 p21 p21 PROPN njb-45 101 39 in in ADP njb-45 101 40 the the DET njb-45 101 41 gtp gtp PROPN njb-45 101 42 - - PUNCT njb-45 101 43 bound bind VERB njb-45 101 44 activate activate NOUN njb-45 101 45 state state NOUN njb-45 101 46 and and CCONJ njb-45 101 47 contributing contribute VERB njb-45 101 48 to to ADP njb-45 101 49 a a DET njb-45 101 50 malignant malignant ADJ njb-45 101 51 cell cell NOUN njb-45 101 52 phenotype phenotype NOUN njb-45 101 53 [ [ PUNCT njb-45 101 54 12 12 NUM njb-45 101 55 , , PUNCT njb-45 101 56 13 13 NUM njb-45 101 57 ] ] PUNCT njb-45 101 58 . . PUNCT njb-45 102 1 in in ADP njb-45 102 2 this this DET njb-45 102 3 context context NOUN njb-45 102 4 , , PUNCT njb-45 102 5 target target NOUN njb-45 102 6 - - PUNCT njb-45 102 7 based base VERB njb-45 102 8 drug drug NOUN njb-45 102 9 discovery discovery NOUN njb-45 102 10 is be AUX njb-45 102 11 considered consider VERB njb-45 102 12 to to PART njb-45 102 13 be be AUX njb-45 102 14 highly highly ADV njb-45 102 15 potential potential ADJ njb-45 102 16 . . PUNCT njb-45 103 1 the the DET njb-45 103 2 mutated mutate VERB njb-45 103 3 h h PROPN njb-45 103 4 - - NOUN njb-45 103 5 ras ras PROPN njb-45 103 6 is be AUX njb-45 103 7 perceived perceive VERB njb-45 103 8 to to PART njb-45 103 9 be be AUX njb-45 103 10 an an DET njb-45 103 11 important important ADJ njb-45 103 12 target target NOUN njb-45 103 13 to to PART njb-45 103 14 treat treat VERB njb-45 103 15 colorectal colorectal ADJ njb-45 103 16 and and CCONJ njb-45 103 17 pancreatic pancreatic ADJ njb-45 103 18 cancer cancer NOUN njb-45 103 19 . . PUNCT njb-45 104 1 a a DET njb-45 104 2 suitable suitable ADJ njb-45 104 3 drug drug NOUN njb-45 104 4 ( ( PUNCT njb-45 104 5 lead lead NOUN njb-45 104 6 ) ) PUNCT njb-45 104 7 molecule molecule NOUN njb-45 104 8 can can AUX njb-45 104 9 be be AUX njb-45 104 10 searched search VERB njb-45 104 11 for for ADP njb-45 104 12 the the DET njb-45 104 13 mutated mutated ADJ njb-45 104 14 state state NOUN njb-45 104 15 of of ADP njb-45 104 16 h h PROPN njb-45 104 17 - - PUNCT njb-45 104 18 ras ras PROPN njb-45 104 19 protein protein NOUN njb-45 104 20 in in ADP njb-45 104 21 order order NOUN njb-45 104 22 to to PART njb-45 104 23 prevent prevent VERB njb-45 104 24 complex complex ADJ njb-45 104 25 formation formation NOUN njb-45 104 26 with with ADP njb-45 104 27 raf raf PROPN njb-45 104 28 protein protein PROPN njb-45 104 29 . . PUNCT njb-45 105 1 a. a. NOUN njb-45 105 2 materials material NOUN njb-45 105 3 and and CCONJ njb-45 105 4 methods method NOUN njb-45 105 5 the the DET njb-45 105 6 protein protein NOUN njb-45 105 7 structures structure NOUN njb-45 105 8 of of ADP njb-45 105 9 h h PROPN njb-45 105 10 - - PUNCT njb-45 105 11 ras ras PROPN njb-45 105 12 p21 p21 PROPN njb-45 105 13 mutant mutant PROPN njb-45 105 14 ( ( PUNCT njb-45 105 15 pdb pdb PROPN njb-45 105 16 i i NOUN njb-45 105 17 d d PROPN njb-45 105 18 521p 521p NUM njb-45 105 19 ) ) PUNCT njb-45 105 20 and and CCONJ njb-45 105 21 of of ADP njb-45 105 22 ras ras PROPN njb-45 105 23 - - PUNCT njb-45 105 24 binding bind VERB njb-45 105 25 domain domain NOUN njb-45 105 26 ( ( PUNCT njb-45 105 27 pdb pdb PROPN njb-45 105 28 id-1wxm id-1wxm PROPN njb-45 105 29 ) ) PUNCT njb-45 105 30 were be AUX njb-45 105 31 taken take VERB njb-45 105 32 from from ADP njb-45 105 33 protein protein NOUN njb-45 105 34 data data PROPN njb-45 105 35 bank bank PROPN njb-45 105 36 http://www.rcsb.org/pdb/home/home.do http://www.rcsb.org/pdb/home/home.do PROPN njb-45 105 37 . . PUNCT njb-45 106 1 there there PRON njb-45 106 2 were be VERB njb-45 106 3 two two NUM njb-45 106 4 methods method NOUN njb-45 106 5 used use VERB njb-45 106 6 to to PART njb-45 106 7 predict predict VERB njb-45 106 8 potential potential ADJ njb-45 106 9 binding bind VERB njb-45 106 10 site site NOUN njb-45 106 11 . . PUNCT njb-45 107 1 in in ADP njb-45 107 2 the the DET njb-45 107 3 first first ADJ njb-45 107 4 approach approach NOUN njb-45 107 5 , , PUNCT njb-45 107 6 screening screening NOUN njb-45 107 7 of of ADP njb-45 107 8 ligand ligand NOUN njb-45 107 9 molecules molecule NOUN njb-45 107 10 was be AUX njb-45 107 11 carried carry VERB njb-45 107 12 out out ADP njb-45 107 13 through through ADP njb-45 107 14 blast blast NOUN njb-45 107 15 search search NOUN njb-45 107 16 engine engine NOUN njb-45 107 17 by by ADP njb-45 107 18 submitting submit VERB njb-45 107 19 the the DET njb-45 107 20 mutated mutated ADJ njb-45 107 21 hras hra NOUN njb-45 107 22 ( ( PUNCT njb-45 107 23 pdb pdb PROPN njb-45 107 24 i i NOUN njb-45 107 25 d d NOUN njb-45 107 26 : : PUNCT njb-45 107 27 521p 521p NUM njb-45 107 28 ) ) PUNCT njb-45 107 29 protein protein NOUN njb-45 107 30 sequence sequence NOUN njb-45 107 31 to to PART njb-45 107 32 drugbank drugbank VERB njb-45 107 33 database database NOUN njb-45 107 34 : : PUNCT njb-45 107 35 http://redpoll.pharmacy.ualberta.ca/drugbank/dr http://redpoll.pharmacy.ualberta.ca/drugbank/dr PROPN njb-45 107 36 ugblast.htm ugblast.htm PROPN njb-45 107 37 . . PUNCT njb-45 108 1 the the DET njb-45 108 2 drugbank drugbank PROPN njb-45 108 3 search search NOUN njb-45 108 4 showed show VERB njb-45 108 5 trifluoroethanol trifluoroethanol PROPN njb-45 108 6 , , PUNCT njb-45 108 7 s s NOUN njb-45 108 8 - - PUNCT njb-45 108 9 oxymathionine oxymathionine NOUN njb-45 108 10 and and CCONJ njb-45 108 11 isopropanol isopropanol NOUN njb-45 108 12 as as ADP njb-45 108 13 active active ADJ njb-45 108 14 ligands ligand NOUN njb-45 108 15 . . PUNCT njb-45 109 1 in in ADP njb-45 109 2 a a DET njb-45 109 3 second second ADJ njb-45 109 4 approach approach NOUN njb-45 109 5 , , PUNCT njb-45 109 6 chembank chembank PROPN njb-45 109 7 ligand ligand NOUN njb-45 109 8 entries entry NOUN njb-45 109 9 were be AUX njb-45 109 10 downloaded download VERB njb-45 109 11 from from ADP njb-45 109 12 ligand ligand NOUN njb-45 109 13 in in ADP njb-45 109 14 sdf sdf ADJ njb-45 109 15 format format NOUN njb-45 109 16 and and CCONJ njb-45 109 17 entries entry NOUN njb-45 109 18 of of ADP njb-45 109 19 ligand ligand NOUN njb-45 109 20 was be AUX njb-45 109 21 used use VERB njb-45 109 22 for for ADP njb-45 109 23 virtual virtual ADJ njb-45 109 24 screening screening NOUN njb-45 109 25 and and CCONJ njb-45 109 26 docking docking NOUN njb-45 109 27 into into ADP njb-45 109 28 effectors effector NOUN njb-45 109 29 region region NOUN njb-45 109 30 of of ADP njb-45 109 31 mutated mutate VERB njb-45 109 32 h h PROPN njb-45 109 33 - - NOUN njb-45 109 34 ras ras PROPN njb-45 109 35 by by ADP njb-45 109 36 using use VERB njb-45 109 37 discovery discovery PROPN njb-45 109 38 studio studio NOUN njb-45 109 39 / / SYM njb-45 109 40 ligandfit ligandfit PROPN njb-45 109 41 program program NOUN njb-45 109 42 to to PART njb-45 109 43 identify identify VERB njb-45 109 44 active active ADJ njb-45 109 45 nepal nepal ADJ njb-45 109 46     SPACE njb-45 109 47 journal journal NOUN njb-45 109 48     SPACE njb-45 109 49 of of ADP njb-45 109 50     SPACE njb-45 109 51 biotechnology biotechnology NOUN njb-45 109 52 . . PUNCT njb-45 109 53         SPACE njb-45 110 1 dec dec PROPN njb-45 110 2 . . PROPN njb-45 110 3     SPACE njb-45 110 4 2011 2011 NUM njb-45 110 5 , , PUNCT njb-45 110 6     SPACE njb-45 110 7 vol vol NOUN njb-45 110 8 . . PUNCT njb-45 110 9     SPACE njb-45 110 10 2 2 NUM njb-45 110 11 , , PUNCT njb-45 110 12     SPACE njb-45 110 13 no no INTJ njb-45 110 14 . . PUNCT njb-45 110 15     SPACE njb-45 111 1 1 1 NUM njb-45 111 2 : : PUNCT njb-45 111 3     SPACE njb-45 111 4 53 53 NUM njb-45 111 5 – – PUNCT njb-45 111 6     SPACE njb-45 111 7 61 61 NUM njb-45 111 8                                                                                                                                                                                                                                             SPACE njb-45 111 9 biotechnology biotechnology NOUN njb-45 111 10     SPACE njb-45 111 11 society society NOUN njb-45 111 12     SPACE njb-45 111 13 of of ADP njb-45 111 14     SPACE njb-45 111 15 nepal nepal NOUN njb-45 111 16     SPACE njb-45 111 17 ( ( PUNCT njb-45 111 18 bsn bsn PROPN njb-45 111 19 ) ) PUNCT njb-45 111 20 , , PUNCT njb-45 111 21     SPACE njb-45 111 22 all all DET njb-45 111 23     SPACE njb-45 111 24 rights right NOUN njb-45 111 25     SPACE njb-45 111 26 reserved reserve VERB njb-45 111 27         SPACE njb-45 111 28 59 59 NUM njb-45 111 29     SPACE njb-45 111 30 potential potential ADJ njb-45 111 31 drugs drug NOUN njb-45 111 32 . . PUNCT njb-45 112 1 the the DET njb-45 112 2 ligand ligand NOUN njb-45 112 3 fit fit VERB njb-45 112 4 docking docking NOUN njb-45 112 5 algorithm algorithm NOUN njb-45 112 6 produced produce VERB njb-45 112 7 10 10 NUM njb-45 112 8 different different ADJ njb-45 112 9 hits hit NOUN njb-45 112 10 of of ADP njb-45 112 11 ligand ligand NOUN njb-45 112 12 , , PUNCT njb-45 112 13 such such ADJ njb-45 112 14 as as ADP njb-45 112 15 ys035 ys035 PROPN njb-45 112 16 , , PUNCT njb-45 112 17 nizatidine nizatidine PROPN njb-45 112 18 , , PUNCT njb-45 112 19 leuhistin leuhistin PROPN njb-45 112 20 , , PUNCT njb-45 112 21 3aminopropanesulphonic 3aminopropanesulphonic NUM njb-45 112 22 acid acid NOUN njb-45 112 23 , , PUNCT njb-45 112 24 guanidine guanidine NOUN njb-45 112 25 , , PUNCT njb-45 112 26 acetamide acetamide PROPN njb-45 112 27 , , PUNCT njb-45 112 28 methoxamine methoxamine PROPN njb-45 112 29 , , PUNCT njb-45 112 30 urea urea NOUN njb-45 112 31 , , PUNCT njb-45 112 32 aluminum aluminum NOUN njb-45 112 33 fluoride fluoride NOUN njb-45 112 34 and and CCONJ njb-45 112 35 hydroxyurea hydroxyurea NOUN njb-45 112 36 from from ADP njb-45 112 37 two two NUM njb-45 112 38 different different ADJ njb-45 112 39 binding bind VERB njb-45 112 40 site site NOUN njb-45 112 41 cavities cavity NOUN njb-45 112 42 that that PRON njb-45 112 43 were be AUX njb-45 112 44 encompassed encompass VERB njb-45 112 45 in in ADP njb-45 112 46 effectors effector NOUN njb-45 112 47 region region NOUN njb-45 112 48 of of ADP njb-45 112 49 mutated mutate VERB njb-45 112 50 h h PROPN njb-45 112 51 - - NOUN njb-45 112 52 ras ras PROPN njb-45 112 53 . . PROPN njb-45 112 54 5 5 NUM njb-45 112 55 . . PUNCT njb-45 112 56 results result NOUN njb-45 112 57 and and CCONJ njb-45 112 58 discussion discussion NOUN njb-45 112 59 leaving leave VERB njb-45 112 60 all all DET njb-45 112 61 the the DET njb-45 112 62 other other ADJ njb-45 112 63 molecules molecule NOUN njb-45 112 64 , , PUNCT njb-45 112 65 the the DET njb-45 112 66 3aminopropanesulphonic 3aminopropanesulphonic NUM njb-45 112 67 acid acid NOUN njb-45 112 68 was be AUX njb-45 112 69 docked dock VERB njb-45 112 70 with with ADP njb-45 112 71 energy energy NOUN njb-45 112 72 of of ADP njb-45 112 73 -0.009 -0.009 PROPN njb-45 112 74 kcal kcal PROPN njb-45 112 75 / / SYM njb-45 112 76 mol mol PROPN njb-45 112 77 and and CCONJ njb-45 112 78 hydroxyurea hydroxyurea NOUN njb-45 112 79 with with ADP njb-45 112 80 -3.014 -3.014 PROPN njb-45 112 81 kcal kcal PROPN njb-45 112 82 / / SYM njb-45 112 83 mol mol PROPN njb-45 112 84 . . PUNCT njb-45 113 1 these these DET njb-45 113 2 two two NUM njb-45 113 3 ligand ligand NOUN njb-45 113 4 molecules molecule NOUN njb-45 113 5 were be AUX njb-45 113 6 also also ADV njb-45 113 7 found find VERB njb-45 113 8 to to PART njb-45 113 9 obey obey VERB njb-45 113 10 the the DET njb-45 113 11 lipinski lipinski PROPN njb-45 113 12 ’s ’s PART njb-45 113 13 rule rule NOUN njb-45 113 14 of of ADP njb-45 113 15 five five NUM njb-45 113 16 . . PUNCT njb-45 114 1 this this DET njb-45 114 2 rule rule NOUN njb-45 114 3 evaluates evaluate VERB njb-45 114 4 drug drug NOUN njb-45 114 5 ability ability NOUN njb-45 114 6 , , PUNCT njb-45 114 7 or or CCONJ njb-45 114 8 finds find VERB njb-45 114 9 a a DET njb-45 114 10 chemical chemical ADJ njb-45 114 11 compound compound NOUN njb-45 114 12 with with ADP njb-45 114 13 some some DET njb-45 114 14 particular particular ADJ njb-45 114 15 pharmacological pharmacological ADJ njb-45 114 16 properties property NOUN njb-45 114 17 that that PRON njb-45 114 18 can can AUX njb-45 114 19 make make VERB njb-45 114 20 it it PRON njb-45 114 21 an an DET njb-45 114 22 orally orally ADV njb-45 114 23 active active ADJ njb-45 114 24 drug drug NOUN njb-45 114 25 in in ADP njb-45 114 26 humans human NOUN njb-45 114 27 . . PUNCT njb-45 115 1 this this DET njb-45 115 2 result result NOUN njb-45 115 3 correlates correlate VERB njb-45 115 4 well well ADV njb-45 115 5 with with ADP njb-45 115 6 earlier early ADJ njb-45 115 7 experimental experimental ADJ njb-45 115 8 results result NOUN njb-45 116 1 [ [ PUNCT njb-45 116 2 14 14 NUM njb-45 116 3 , , PUNCT njb-45 116 4 15 15 NUM njb-45 116 5 ] ] PUNCT njb-45 116 6 and and CCONJ njb-45 116 7 it it PRON njb-45 116 8 depicts depict VERB njb-45 116 9 that that SCONJ njb-45 116 10 the the DET njb-45 116 11 identified identify VERB njb-45 116 12 binding binding ADJ njb-45 116 13 conformations conformation NOUN njb-45 116 14 of of ADP njb-45 116 15 these these DET njb-45 116 16 inhibitors inhibitor NOUN njb-45 116 17 are be AUX njb-45 116 18 reliable reliable ADJ njb-45 116 19 and and CCONJ njb-45 116 20 produce produce VERB njb-45 116 21 anti anti ADJ njb-45 116 22 - - ADJ njb-45 116 23 tumor tumor ADJ njb-45 116 24 effects effect NOUN njb-45 116 25 in in ADP njb-45 116 26 a a DET njb-45 116 27 variety variety NOUN njb-45 116 28 of of ADP njb-45 116 29 solid solid ADJ njb-45 116 30 tumor tumor NOUN njb-45 116 31 [ [ PUNCT njb-45 116 32 16 16 NUM njb-45 116 33 ] ] PUNCT njb-45 116 34 and and CCONJ njb-45 116 35 leukemia leukemia NOUN njb-45 116 36 . . PUNCT njb-45 117 1 3 3 NUM njb-45 117 2 - - PUNCT njb-45 117 3 aminopropanesulfonic aminopropanesulfonic ADJ njb-45 117 4 acid acid NOUN njb-45 117 5 is be AUX njb-45 117 6 a a DET njb-45 117 7 synthetic synthetic ADJ njb-45 117 8 gammaaminobutyric gammaaminobutyric ADJ njb-45 117 9 acid acid NOUN njb-45 117 10 ( ( PUNCT njb-45 117 11 gaba gaba NOUN njb-45 117 12 ) ) PUNCT njb-45 117 13 analog analog NOUN njb-45 117 14 . . PUNCT njb-45 118 1 hydroxyurea hydroxyurea PROPN njb-45 118 2 is be AUX njb-45 118 3 an an DET njb-45 118 4 antineoplastic antineoplastic ADJ njb-45 118 5 agent agent NOUN njb-45 118 6 that that PRON njb-45 118 7 produces produce VERB njb-45 118 8 anti anti ADJ njb-45 118 9 - - ADJ njb-45 118 10 tumor tumor ADJ njb-45 118 11 effects effect NOUN njb-45 118 12 in in ADP njb-45 118 13 animals animal NOUN njb-45 118 14 and and CCONJ njb-45 118 15 man man NOUN njb-45 118 16 in in ADP njb-45 118 17 a a DET njb-45 118 18 various various ADJ njb-45 118 19 forms form NOUN njb-45 118 20 of of ADP njb-45 118 21 solid solid ADJ njb-45 118 22 tumor tumor NOUN njb-45 118 23 and and CCONJ njb-45 118 24 would would AUX njb-45 118 25 be be AUX njb-45 118 26 an an DET njb-45 118 27 effective effective ADJ njb-45 118 28 drug drug NOUN njb-45 118 29 to to PART njb-45 118 30 inhibit inhibit VERB njb-45 118 31 function function NOUN njb-45 118 32 of of ADP njb-45 118 33 mutant mutant ADJ njb-45 118 34 h h PROPN njb-45 118 35 - - PUNCT njb-45 118 36 ras ras PROPN njb-45 118 37 p21 p21 PROPN njb-45 118 38 protein protein NOUN njb-45 118 39 , , PUNCT njb-45 118 40 which which PRON njb-45 118 41 will will AUX njb-45 118 42 be be AUX njb-45 118 43 able able ADJ njb-45 118 44 to to PART njb-45 118 45 arrest arrest VERB njb-45 118 46 cell cell NOUN njb-45 118 47 growth growth NOUN njb-45 118 48 and and CCONJ njb-45 118 49 cancer cancer NOUN njb-45 118 50 cell cell NOUN njb-45 118 51 proliferation proliferation NOUN njb-45 118 52 . . PUNCT njb-45 119 1 from from ADP njb-45 119 2 this this DET njb-45 119 3 study study NOUN njb-45 119 4 and and CCONJ njb-45 119 5 previously previously ADV njb-45 119 6 reported report VERB njb-45 119 7 experimental experimental ADJ njb-45 119 8 data datum NOUN njb-45 119 9 in in ADP njb-45 119 10 literature literature NOUN njb-45 119 11 , , PUNCT njb-45 119 12 we we PRON njb-45 119 13 observe observe VERB njb-45 119 14 that that SCONJ njb-45 119 15 hydroxyurea hydroxyurea PROPN njb-45 119 16 and and CCONJ njb-45 119 17 3aminopropanesulphonic 3aminopropanesulphonic NUM njb-45 119 18 acid acid NOUN njb-45 119 19 would would AUX njb-45 119 20 be be AUX njb-45 119 21 an an DET njb-45 119 22 effective effective ADJ njb-45 119 23 drug drug NOUN njb-45 119 24 to to PART njb-45 119 25 inhibit inhibit VERB njb-45 119 26 function function NOUN njb-45 119 27 of of ADP njb-45 119 28 mutant mutant ADJ njb-45 119 29 hras hras X njb-45 119 30 p21 p21 PROPN njb-45 119 31 protein protein NOUN njb-45 119 32 , , PUNCT njb-45 119 33 which which PRON njb-45 119 34 will will AUX njb-45 119 35 in in ADP njb-45 119 36 turn turn NOUN njb-45 119 37 arrest arrest VERB njb-45 119 38 the the DET njb-45 119 39 process process NOUN njb-45 119 40 of of ADP njb-45 119 41 cell cell NOUN njb-45 119 42 growth growth NOUN njb-45 119 43 and and CCONJ njb-45 119 44 proliferation proliferation NOUN njb-45 119 45 of of ADP njb-45 119 46 the the DET njb-45 119 47 cancer cancer NOUN njb-45 119 48 cell cell NOUN njb-45 120 1 [ [ PUNCT njb-45 120 2 17 17 NUM njb-45 120 3 ] ] PUNCT njb-45 120 4 . . PUNCT njb-45 121 1 it it PRON njb-45 121 2 was be AUX njb-45 121 3 earlier early ADV njb-45 121 4 reported report VERB njb-45 121 5 that that SCONJ njb-45 121 6 the the DET njb-45 121 7 oral oral ADJ njb-45 121 8 administration administration NOUN njb-45 121 9 of of ADP njb-45 121 10 hydroxyurea hydroxyurea PROPN njb-45 121 11 to to ADP njb-45 121 12 20 20 NUM njb-45 121 13 patients patient NOUN njb-45 121 14 with with ADP njb-45 121 15 chronic chronic ADJ njb-45 121 16 myelogenous myelogenous ADJ njb-45 121 17 leukemia leukemia NOUN njb-45 121 18 , , PUNCT njb-45 121 19 resulted result VERB njb-45 121 20 in in ADP njb-45 121 21 the the DET njb-45 121 22 decrease decrease NOUN njb-45 121 23 count count NOUN njb-45 121 24 of of ADP njb-45 121 25 white white ADJ njb-45 121 26 blood blood NOUN njb-45 121 27 cell cell NOUN njb-45 121 28 [ [ X njb-45 121 29 18 18 NUM njb-45 121 30 ] ] PUNCT njb-45 121 31 . . PUNCT njb-45 122 1 conclusion conclusion NOUN njb-45 122 2 the the DET njb-45 122 3 major major ADJ njb-45 122 4 goal goal NOUN njb-45 122 5 of of ADP njb-45 122 6 structure structure NOUN njb-45 122 7 - - PUNCT njb-45 122 8 based base VERB njb-45 122 9 drug drug NOUN njb-45 122 10 design design NOUN njb-45 122 11 is be AUX njb-45 122 12 to to PART njb-45 122 13 develop develop VERB njb-45 122 14 an an DET njb-45 122 15 efficient efficient ADJ njb-45 122 16 process process NOUN njb-45 122 17 that that PRON njb-45 122 18 involves involve VERB njb-45 122 19 a a DET njb-45 122 20 high high ADJ njb-45 122 21 resolution resolution NOUN njb-45 122 22 crystal crystal NOUN njb-45 122 23 structure structure NOUN njb-45 122 24 of of ADP njb-45 122 25 validated validate VERB njb-45 122 26 biological biological ADJ njb-45 122 27 target target NOUN njb-45 122 28 molecules molecule NOUN njb-45 122 29 and and CCONJ njb-45 122 30 reliably reliably ADV njb-45 122 31 generates generate VERB njb-45 122 32 an an DET njb-45 122 33 easily easily ADV njb-45 122 34 synthesized synthesize VERB njb-45 122 35 , , PUNCT njb-45 122 36 high high ADJ njb-45 122 37 affinity affinity NOUN njb-45 122 38 small small ADJ njb-45 122 39 molecule molecule NOUN njb-45 122 40 with with ADP njb-45 122 41 desirable desirable ADJ njb-45 122 42 pharmacological pharmacological ADJ njb-45 122 43 properties property NOUN njb-45 122 44 . . PUNCT njb-45 123 1 new new ADJ njb-45 123 2 advancement advancement NOUN njb-45 123 3 in in ADP njb-45 123 4 the the DET njb-45 123 5 field field NOUN njb-45 123 6 of of ADP njb-45 123 7 structural structural ADJ njb-45 123 8 genomics genomic NOUN njb-45 123 9 , , PUNCT njb-45 123 10 proteomics proteomic NOUN njb-45 123 11 and and CCONJ njb-45 123 12 bioinformatics bioinformatic NOUN njb-45 123 13 will will AUX njb-45 123 14 enhance enhance VERB njb-45 123 15 variety variety NOUN njb-45 123 16 of of ADP njb-45 123 17 approaches approach NOUN njb-45 123 18 for for ADP njb-45 123 19 structure structure NOUN njb-45 123 20 based base VERB njb-45 123 21 drug drug NOUN njb-45 123 22 design design NOUN njb-45 123 23 . . PUNCT njb-45 124 1 acknowledgement acknowledgement NOUN njb-45 124 2 we we PRON njb-45 124 3 are be AUX njb-45 124 4 thankful thankful ADJ njb-45 124 5 to to ADP njb-45 124 6 dr dr PROPN njb-45 124 7 . . PROPN njb-45 124 8 pritish pritish ADJ njb-45 124 9 varadwaj varadwaj NOUN njb-45 124 10 for for ADP njb-45 124 11 the the DET njb-45 124 12 nepal nepal ADJ njb-45 124 13     SPACE njb-45 124 14 journal journal NOUN njb-45 124 15     SPACE njb-45 124 16 of of ADP njb-45 124 17     SPACE njb-45 124 18 biotechnology biotechnology NOUN njb-45 124 19 . . PUNCT njb-45 124 20         SPACE njb-45 125 1 dec dec PROPN njb-45 125 2 . . PROPN njb-45 125 3     SPACE njb-45 125 4 2011 2011 NUM njb-45 125 5 , , PUNCT njb-45 125 6     SPACE njb-45 125 7 vol vol NOUN njb-45 125 8 . . PUNCT njb-45 125 9     SPACE njb-45 125 10 2 2 NUM njb-45 125 11 , , PUNCT njb-45 125 12     SPACE njb-45 125 13 no no INTJ njb-45 125 14 . . PUNCT njb-45 125 15     SPACE njb-45 126 1 1 1 NUM njb-45 126 2 : : PUNCT njb-45 126 3     SPACE njb-45 126 4 53 53 NUM njb-45 126 5 – – PUNCT njb-45 126 6     SPACE njb-45 126 7 61 61 NUM njb-45 126 8                                                                                                                                                                                                                                             SPACE njb-45 126 9 biotechnology biotechnology NOUN njb-45 126 10     SPACE njb-45 126 11 society society NOUN njb-45 126 12     SPACE njb-45 126 13 of of ADP njb-45 126 14     SPACE njb-45 126 15 nepal nepal NOUN njb-45 126 16     SPACE njb-45 126 17 ( ( PUNCT njb-45 126 18 bsn bsn PROPN njb-45 126 19 ) ) PUNCT njb-45 126 20 , , PUNCT njb-45 126 21     SPACE njb-45 126 22 all all DET njb-45 126 23     SPACE njb-45 126 24 rights right NOUN njb-45 126 25     SPACE njb-45 126 26 reserved reserve VERB njb-45 126 27         SPACE njb-45 126 28 60 60 NUM njb-45 126 29     SPACE njb-45 126 30 informative informative ADJ njb-45 126 31 lecture lecture NOUN njb-45 126 32 on on ADP njb-45 126 33 computer computer NOUN njb-45 126 34 aided aid VERB njb-45 126 35 drug drug NOUN njb-45 126 36 design design NOUN njb-45 126 37 course course NOUN njb-45 126 38 . . PUNCT njb-45 127 1 we we PRON njb-45 127 2 are be AUX njb-45 127 3 also also ADV njb-45 127 4 thankful thankful ADJ njb-45 127 5 to to ADP njb-45 127 6 all all DET njb-45 127 7 the the DET njb-45 127 8 faculties faculty NOUN njb-45 127 9 of of ADP njb-45 127 10 department department NOUN njb-45 127 11 of of ADP njb-45 127 12 bioinformatics bioinformatics PROPN njb-45 127 13 , , PUNCT njb-45 127 14 indian indian PROPN njb-45 127 15 institute institute PROPN njb-45 127 16 of of ADP njb-45 127 17 information information PROPN njb-45 127 18 technology technology PROPN njb-45 127 19 , , PUNCT njb-45 127 20 allahabad allahabad PROPN njb-45 127 21 , , PUNCT njb-45 127 22 india india PROPN njb-45 127 23 for for ADP njb-45 127 24 introducing introduce VERB njb-45 127 25 and and CCONJ njb-45 127 26 enlightening enlighten VERB njb-45 127 27 us we PRON njb-45 127 28 to to ADP njb-45 127 29 the the DET njb-45 127 30 bioinformatics bioinformatics NOUN njb-45 127 31 field field NOUN njb-45 127 32 . . PUNCT njb-45 128 1 references reference NOUN njb-45 128 2 1 1 NUM njb-45 128 3 . . PUNCT njb-45 128 4 kubinyi kubinyi PROPN njb-45 128 5 h h PROPN njb-45 128 6 : : PUNCT njb-45 128 7 structure structure NOUN njb-45 128 8 - - PUNCT njb-45 128 9 based base VERB njb-45 128 10 design design NOUN njb-45 128 11 of of ADP njb-45 128 12 enzyme enzyme NOUN njb-45 128 13 inhibitors inhibitor NOUN njb-45 128 14 and and CCONJ njb-45 128 15 receptor receptor NOUN njb-45 128 16 ligands ligand NOUN njb-45 128 17 . . PUNCT njb-45 129 1 current current ADJ njb-45 129 2 opinion opinion NOUN njb-45 129 3 in in ADP njb-45 129 4 drug drug NOUN njb-45 129 5 discovery discovery NOUN njb-45 129 6 and and CCONJ njb-45 129 7 development development NOUN njb-45 129 8 1998 1998 NUM njb-45 129 9 , , PUNCT njb-45 129 10 1(1):4 1(1):4 NUM njb-45 129 11 - - SYM njb-45 129 12 15 15 NUM njb-45 129 13 . . NUM njb-45 129 14 2 2 X njb-45 129 15 . . X njb-45 129 16 amy amy PROPN njb-45 129 17 ca can AUX njb-45 129 18 : : PUNCT njb-45 129 19 the the DET njb-45 129 20 process process NOUN njb-45 129 21 of of ADP njb-45 129 22 structurebased structurebase VERB njb-45 129 23 drug drug NOUN njb-45 129 24 design design NOUN njb-45 129 25 . . PUNCT njb-45 130 1 chemistry chemistry NOUN njb-45 130 2 & & CCONJ njb-45 130 3 biology biology PROPN njb-45 130 4 2003 2003 NUM njb-45 130 5 , , PUNCT njb-45 130 6 10 10 NUM njb-45 130 7 : : PUNCT njb-45 130 8 787 787 NUM njb-45 130 9 - - PUNCT njb-45 130 10 797 797 NUM njb-45 130 11 . . PUNCT njb-45 131 1 3 3 X njb-45 131 2 . . X njb-45 131 3 shravanti shravanti PROPN njb-45 131 4 k k PROPN njb-45 131 5 et et PROPN njb-45 131 6 al al PROPN njb-45 131 7 : : PUNCT njb-45 131 8 a a DET njb-45 131 9 review review NOUN njb-45 131 10 on on ADP njb-45 131 11 structure structure NOUN njb-45 131 12 based base VERB njb-45 131 13 drug drug NOUN njb-45 131 14 design design NOUN njb-45 131 15 of of ADP njb-45 131 16 protein protein NOUN njb-45 131 17 tyrosine tyrosine NOUN njb-45 131 18 phosphatase phosphatase NOUN njb-45 131 19 1b 1b NUM njb-45 131 20 inhibitors inhibitor NOUN njb-45 131 21 for for ADP njb-45 131 22 target target NOUN njb-45 131 23 for for ADP njb-45 131 24 obesity obesity NOUN njb-45 131 25 and and CCONJ njb-45 131 26 type type NOUN njb-45 131 27 2 2 NUM njb-45 131 28 diabetes diabete NOUN njb-45 131 29 mellitus mellitus NOUN njb-45 131 30 . . PUNCT njb-45 132 1 journal journal PROPN njb-45 132 2 of of ADP njb-45 132 3 pharmacy pharmacy NOUN njb-45 132 4 research research NOUN njb-45 132 5 2010 2010 NUM njb-45 132 6 , , PUNCT njb-45 132 7 3(12 3(12 NUM njb-45 132 8 ): ): PUNCT njb-45 132 9 29392940 29392940 NUM njb-45 132 10 4 4 NUM njb-45 132 11 . . PUNCT njb-45 132 12 sistla sistla PROPN njb-45 132 13 r r PROPN njb-45 132 14 , , PUNCT njb-45 132 15 ghadiyaram ghadiyaram PROPN njb-45 132 16 c c PROPN njb-45 132 17 , , PUNCT njb-45 132 18 srinivasan srinivasan ADJ njb-45 132 19 nc nc PROPN njb-45 132 20 and and CCONJ njb-45 132 21 subramanya subramanya PROPN njb-45 132 22 hs hs PROPN njb-45 132 23 : : PUNCT njb-45 132 24 a a DET njb-45 132 25 structure structure NOUN njb-45 132 26 based base VERB njb-45 132 27 strategy strategy NOUN njb-45 132 28 for for ADP njb-45 132 29 new new ADJ njb-45 132 30 drug drug NOUN njb-45 132 31 discovery discovery NOUN njb-45 132 32 . . PUNCT njb-45 133 1 innovations innovation NOUN njb-45 133 2 in in ADP njb-45 133 3 pharmaceutical pharmaceutical ADJ njb-45 133 4 technology technology NOUN njb-45 133 5 2006,august 2006,august NUM njb-45 133 6 30 30 NUM njb-45 133 7 , , PUNCT njb-45 133 8 20:18 20:18 NUM njb-45 133 9 - - SYM njb-45 133 10 23 23 NUM njb-45 133 11 5 5 NUM njb-45 133 12 . . PUNCT njb-45 134 1 sergio sergio PROPN njb-45 134 2 hr hr PROPN njb-45 134 3 , , PUNCT njb-45 134 4 mark mark PROPN njb-45 134 5 am am PROPN njb-45 134 6 . . PUNCT njb-45 135 1 groupbuild groupbuild PROPN njb-45 135 2 : : PUNCT njb-45 135 3 a a DET njb-45 135 4 fragment fragment ADV njb-45 135 5 - - PUNCT njb-45 135 6 based base VERB njb-45 135 7 method method NOUN njb-45 135 8 for for ADP njb-45 135 9 de de PROPN njb-45 135 10 novo novo PROPN njb-45 135 11 drug drug NOUN njb-45 135 12 design design NOUN njb-45 135 13 . . PUNCT njb-45 136 1 j.med j.me VERB njb-45 136 2 . . PROPN njb-45 136 3 chem chem NOUN njb-45 136 4 1993 1993 NUM njb-45 136 5 , , PUNCT njb-45 136 6 36 36 NUM njb-45 136 7 : : SYM njb-45 136 8 1700 1700 NUM njb-45 136 9 - - SYM njb-45 136 10 1710 1710 NUM njb-45 136 11 6 6 NUM njb-45 136 12 . . PUNCT njb-45 137 1 robert robert PROPN njb-45 137 2 sd sd PROPN njb-45 137 3 , , PUNCT njb-45 137 4 eugene eugene PROPN njb-45 137 5 is be AUX njb-45 137 6 . . PUNCT njb-45 138 1 smog smog PROPN njb-45 138 2 : : PUNCT njb-45 138 3 de de X njb-45 138 4 novo novo PROPN njb-45 138 5 design design NOUN njb-45 138 6 method method NOUN njb-45 138 7 based base VERB njb-45 138 8 on on ADP njb-45 138 9 simple simple ADJ njb-45 138 10 , , PUNCT njb-45 138 11 fast fast ADJ njb-45 138 12 , , PUNCT njb-45 138 13 and and CCONJ njb-45 138 14 accurate accurate ADJ njb-45 138 15 free free ADJ njb-45 138 16 energy energy NOUN njb-45 138 17 estimates estimate NOUN njb-45 138 18 . . PUNCT njb-45 139 1 1 1 X njb-45 139 2 . . PUNCT njb-45 139 3 methodology methodology NOUN njb-45 139 4 and and CCONJ njb-45 139 5 supporting support VERB njb-45 139 6 evidence evidence NOUN njb-45 139 7 . . PUNCT njb-45 140 1 j. j. PROPN njb-45 140 2 am am PROPN njb-45 140 3 . . PUNCT njb-45 141 1 chem chem NOUN njb-45 141 2 . . PUNCT njb-45 142 1 soc soc PROPN njb-45 142 2 1996 1996 NUM njb-45 142 3 , , PUNCT njb-45 142 4 118 118 NUM njb-45 142 5 : : PUNCT njb-45 142 6 11733 11733 NUM njb-45 142 7 - - PUNCT njb-45 142 8 1174 1174 NUM njb-45 142 9 7 7 NUM njb-45 142 10 . . PUNCT njb-45 143 1 diane diane PROPN njb-45 143 2 jm jm PROPN njb-45 143 3 : : PUNCT njb-45 143 4 computational computational ADJ njb-45 143 5 approaches approach NOUN njb-45 143 6 to to ADP njb-45 143 7 structure structure NOUN njb-45 143 8 - - PUNCT njb-45 143 9 based base VERB njb-45 143 10 ligand ligand NOUN njb-45 143 11 design design NOUN njb-45 143 12 . . PUNCT njb-45 144 1 pharmacology pharmacology PROPN njb-45 144 2 & & CCONJ njb-45 144 3 therapeutics therapeutics PROPN njb-45 144 4 1999 1999 NUM njb-45 144 5 , , PUNCT njb-45 144 6 84 84 NUM njb-45 144 7 : : PUNCT njb-45 144 8 179–191 179–191 NUM njb-45 144 9 . . PUNCT njb-45 144 10 8 8 NUM njb-45 144 11 . . PUNCT njb-45 145 1 holger holger PROPN njb-45 145 2 g g PROPN njb-45 145 3 , , PUNCT njb-45 145 4 gerhard gerhard PROPN njb-45 145 5 k k PROPN njb-45 145 6 : : PUNCT njb-45 145 7 statistical statistical ADJ njb-45 145 8 potentials potential NOUN njb-45 145 9 and and CCONJ njb-45 145 10 scoring scoring NOUN njb-45 145 11 functions function NOUN njb-45 145 12 applied apply VERB njb-45 145 13 to to ADP njb-45 145 14 protein protein NOUN njb-45 145 15 – – PUNCT njb-45 145 16 ligand ligand NOUN njb-45 145 17 binding binding NOUN njb-45 145 18 , , PUNCT njb-45 145 19 current current ADJ njb-45 145 20 opinion opinion NOUN njb-45 145 21 in in ADP njb-45 145 22 structural structural ADJ njb-45 145 23 biology biology NOUN njb-45 145 24 . . PUNCT njb-45 146 1 elsevier elsevi ADJ njb-45 146 2 2001 2001 NUM njb-45 146 3 , , PUNCT njb-45 146 4 11(2):231 11(2):231 NUM njb-45 146 5 - - SYM njb-45 146 6 235 235 NUM njb-45 146 7 . . NOUN njb-45 146 8 9 9 NUM njb-45 146 9 . . PUNCT njb-45 147 1 valencia valencia PROPN njb-45 147 2 a a PROPN njb-45 147 3 , , PUNCT njb-45 147 4 chardin chardin PROPN njb-45 147 5 p p PROPN njb-45 147 6 , , PUNCT njb-45 147 7 wittinghofer wittinghofer VERB njb-45 147 8 a a DET njb-45 147 9 , , PUNCT njb-45 147 10 sander sander NOUN njb-45 147 11 c c NOUN njb-45 147 12 : : PUNCT njb-45 147 13 the the DET njb-45 147 14 ras ras PROPN njb-45 147 15 protein protein PROPN njb-45 147 16 family family PROPN njb-45 147 17 : : PUNCT njb-45 147 18 evolutionary evolutionary ADJ njb-45 147 19 tree tree NOUN njb-45 147 20 and and CCONJ njb-45 147 21 role role NOUN njb-45 147 22 of of ADP njb-45 147 23 conserved conserved ADJ njb-45 147 24 amino amino NOUN njb-45 147 25 acids acid NOUN njb-45 147 26 . . PUNCT njb-45 148 1 biochemistry biochemistry NOUN njb-45 148 2 1991 1991 NUM njb-45 148 3 , , PUNCT njb-45 148 4 30 30 NUM njb-45 148 5 : : SYM njb-45 148 6 4637 4637 NUM njb-45 148 7 - - SYM njb-45 148 8 4648 4648 NUM njb-45 148 9 . . PUNCT njb-45 149 1 10 10 NUM njb-45 149 2 . . PUNCT njb-45 149 3 bos bos PROPN njb-45 149 4 j j PROPN njb-45 149 5 : : PUNCT njb-45 149 6 ras ras PROPN njb-45 149 7 oncogenes oncogene NOUN njb-45 149 8 in in ADP njb-45 149 9 human human ADJ njb-45 149 10 cancer cancer NOUN njb-45 149 11 : : PUNCT njb-45 149 12 a a DET njb-45 149 13 review review NOUN njb-45 149 14 . . PUNCT njb-45 150 1 cancer cancer NOUN njb-45 150 2 res res PROPN njb-45 150 3 1989 1989 NUM njb-45 150 4 , , PUNCT njb-45 150 5 49 49 NUM njb-45 150 6 ( ( PUNCT njb-45 150 7 17 17 NUM njb-45 150 8 ): ): PUNCT njb-45 150 9 4682 4682 NUM njb-45 150 10 - - SYM njb-45 150 11 4689 4689 NUM njb-45 150 12 . . PUNCT njb-45 151 1 11 11 NUM njb-45 151 2 . . PUNCT njb-45 152 1 lodish lodish PROPN njb-45 152 2 h h PROPN njb-45 152 3 , , PUNCT njb-45 152 4 berk berk PROPN njb-45 152 5 a a PROPN njb-45 152 6 , , PUNCT njb-45 152 7 zipursky zipursky PROPN njb-45 152 8 sl sl PROPN njb-45 152 9 , , PUNCT njb-45 152 10 matsudaira matsudaira PROPN njb-45 152 11 p p PROPN njb-45 152 12 , , PUNCT njb-45 152 13 baltimore baltimore PROPN njb-45 152 14 d d PROPN njb-45 152 15 , , PUNCT njb-45 152 16 darnell darnell PROPN njb-45 152 17 j j PROPN njb-45 152 18 : : PUNCT njb-45 152 19 chapter chapter PROPN njb-45 152 20 25 25 NUM njb-45 152 21 , , PUNCT njb-45 152 22 cancer cancer NOUN njb-45 152 23 . . PUNCT njb-45 153 1 molecular molecular ADJ njb-45 153 2 cell cell NOUN njb-45 153 3 biology biology NOUN njb-45 153 4 ( ( PUNCT njb-45 153 5 4th 4th ADJ njb-45 153 6 ed ed NOUN njb-45 153 7 . . PUNCT njb-45 153 8 ) ) PUNCT njb-45 153 9 . . PUNCT njb-45 154 1 san san PROPN njb-45 154 2 francisco francisco PROPN njb-45 154 3 : : PUNCT njb-45 154 4 w.h w.h PROPN njb-45 154 5 . . PROPN njb-45 154 6 freeman freeman PROPN njb-45 154 7 2000 2000 NUM njb-45 154 8 . . PUNCT njb-45 155 1 isbn isbn PROPN njb-45 155 2 0 0 NUM njb-45 155 3 - - NUM njb-45 155 4 7167 7167 NUM njb-45 155 5 - - SYM njb-45 155 6 3706 3706 NUM njb-45 155 7 - - PUNCT njb-45 155 8 x. x. NOUN njb-45 155 9 12 12 NUM njb-45 155 10 . . PUNCT njb-45 156 1 bos bos PROPN njb-45 156 2 j j PROPN njb-45 156 3 : : PUNCT njb-45 156 4 the the DET njb-45 156 5 ras ras PROPN njb-45 156 6 gene gene PROPN njb-45 156 7 family family NOUN njb-45 156 8 and and CCONJ njb-45 156 9 human human ADJ njb-45 156 10 carcinogenesis carcinogenesis NOUN njb-45 156 11 . . PUNCT njb-45 157 1 mutat mutat ADJ njb-45 157 2 res res PROPN njb-45 157 3 . . PUNCT njb-45 157 4 1988 1988 NUM njb-45 157 5 , , PUNCT njb-45 157 6 195(3 195(3 NUM njb-45 157 7 ): ): PUNCT njb-45 157 8 255 255 NUM njb-45 157 9 - - SYM njb-45 157 10 71 71 NUM njb-45 157 11 13 13 NUM njb-45 157 12 . . PUNCT njb-45 158 1 henson henson PROPN njb-45 158 2 es es PROPN njb-45 158 3 , , PUNCT njb-45 158 4 gibson gibson PROPN njb-45 158 5 sb sb PROPN njb-45 158 6 : : PUNCT njb-45 158 7 surviving survive VERB njb-45 158 8 cell cell NOUN njb-45 158 9 death death NOUN njb-45 158 10 through through ADP njb-45 158 11 epidermal epidermal ADJ njb-45 158 12 growth growth NOUN njb-45 158 13 factor factor NOUN njb-45 158 14 ( ( PUNCT njb-45 158 15 egf egf NOUN njb-45 158 16 ) ) PUNCT njb-45 158 17 signal signal ADJ njb-45 158 18 transduction transduction NOUN njb-45 158 19 pathways pathway NOUN njb-45 158 20 : : PUNCT njb-45 158 21 implications implication NOUN njb-45 158 22 for for ADP njb-45 158 23 cancer cancer NOUN njb-45 158 24 therapy therapy NOUN njb-45 158 25 . . PUNCT njb-45 159 1 cell cell NOUN njb-45 159 2 signal signal PROPN njb-45 159 3 2006 2006 NUM njb-45 159 4 , , PUNCT njb-45 159 5 18 18 NUM njb-45 159 6 : : SYM njb-45 159 7 20892097 20892097 NUM njb-45 159 8 . . PUNCT njb-45 160 1 14 14 NUM njb-45 160 2 . . PUNCT njb-45 161 1 young young ADJ njb-45 161 2 cw cw PROPN njb-45 161 3 , , PUNCT njb-45 161 4 schochetman schochetman PROPN njb-45 161 5 g g PROPN njb-45 161 6 , , PUNCT njb-45 161 7 karnofsky karnofsky PROPN njb-45 161 8 da da PROPN njb-45 161 9 : : PUNCT njb-45 161 10 hydroxyureainduced hydroxyureainduced ADJ njb-45 161 11 inhibition inhibition NOUN njb-45 161 12 of of ADP njb-45 161 13 deoxyribonucleotide deoxyribonucleotide ADJ njb-45 161 14 synthesis synthesis NOUN njb-45 161 15 : : PUNCT njb-45 161 16 studies study NOUN njb-45 161 17 in in ADP njb-45 161 18 intact intact ADJ njb-45 161 19 cells cell NOUN njb-45 161 20 . . PUNCT njb-45 162 1 cancer cancer NOUN njb-45 162 2 res res PROPN njb-45 162 3 nepal nepal ADJ njb-45 162 4     SPACE njb-45 162 5 journal journal NOUN njb-45 162 6     SPACE njb-45 162 7 of of ADP njb-45 162 8     SPACE njb-45 162 9 biotechnology biotechnology NOUN njb-45 162 10 . . PUNCT njb-45 162 11         SPACE njb-45 163 1 dec dec PROPN njb-45 163 2 . . PROPN njb-45 163 3     SPACE njb-45 163 4 2011 2011 NUM njb-45 163 5 , , PUNCT njb-45 163 6     SPACE njb-45 163 7 vol vol NOUN njb-45 163 8 . . PUNCT njb-45 163 9     SPACE njb-45 163 10 2 2 NUM njb-45 163 11 , , PUNCT njb-45 163 12     SPACE njb-45 163 13 no no INTJ njb-45 163 14 . . PUNCT njb-45 163 15     SPACE njb-45 164 1 1 1 NUM njb-45 164 2 : : PUNCT njb-45 164 3     SPACE njb-45 164 4 53 53 NUM njb-45 164 5 – – PUNCT njb-45 164 6     SPACE njb-45 164 7 61 61 NUM njb-45 164 8                                                                                                                                                                                                                                             SPACE njb-45 164 9 biotechnology biotechnology NOUN njb-45 164 10     SPACE njb-45 164 11 society society NOUN njb-45 164 12     SPACE njb-45 164 13 of of ADP njb-45 164 14     SPACE njb-45 164 15 nepal nepal NOUN njb-45 164 16     SPACE njb-45 164 17 ( ( PUNCT njb-45 164 18 bsn bsn PROPN njb-45 164 19 ) ) PUNCT njb-45 164 20 , , PUNCT njb-45 164 21     SPACE njb-45 164 22 all all DET njb-45 164 23     SPACE njb-45 164 24 rights right NOUN njb-45 164 25     SPACE njb-45 164 26 reserved reserve VERB njb-45 164 27         SPACE njb-45 164 28 61 61 NUM njb-45 164 29     SPACE njb-45 164 30 1967 1967 NUM njb-45 164 31 , , PUNCT njb-45 164 32 27 27 NUM njb-45 164 33 : : SYM njb-45 164 34 526 526 NUM njb-45 164 35 - - SYM njb-45 164 36 534 534 NUM njb-45 164 37 . . NUM njb-45 164 38 15 15 NUM njb-45 164 39 . . PUNCT njb-45 165 1 akerblom akerblom PROPN njb-45 165 2 l l PROPN njb-45 165 3 , , PUNCT njb-45 165 4 ehrenberg ehrenberg VERB njb-45 165 5 a a DET njb-45 165 6 , , PUNCT njb-45 165 7 graslund graslund ADJ njb-45 165 8 a a DET njb-45 165 9 , , PUNCT njb-45 165 10 lankinen lankinen NOUN njb-45 165 11 , , PUNCT njb-45 165 12 reichard reichard PROPN njb-45 165 13 p p PROPN njb-45 165 14 , , PUNCT njb-45 165 15 thelander thelander PROPN njb-45 165 16 l l PROPN njb-45 165 17 : : PUNCT njb-45 165 18 overproduction overproduction NOUN njb-45 165 19 of of ADP njb-45 165 20 the the DET njb-45 165 21 free free ADJ njb-45 165 22 radical radical NOUN njb-45 165 23 of of ADP njb-45 165 24 ribonucleotide ribonucleotide NOUN njb-45 165 25 reductase reductase NOUN njb-45 165 26 in in ADP njb-45 165 27 hydroxyurea hydroxyurea NOUN njb-45 165 28 - - PUNCT njb-45 165 29 resistant resistant ADJ njb-45 165 30 mouse mouse NOUN njb-45 165 31 fibroblast fibroblast VERB njb-45 165 32 3t6 3t6 NUM njb-45 165 33 cells cell NOUN njb-45 165 34 . . PUNCT njb-45 166 1 proc proc PROPN njb-45 166 2 natl natl PROPN njb-45 166 3 acad acad PROPN njb-45 166 4 sci sci PROPN njb-45 166 5 usa usa PROPN njb-45 166 6 1981 1981 NUM njb-45 166 7 , , PUNCT njb-45 166 8 78 78 NUM njb-45 166 9 : : SYM njb-45 166 10 2159 2159 NUM njb-45 166 11 - - SYM njb-45 166 12 2163 2163 NUM njb-45 166 13 . . PUNCT njb-45 167 1 16 16 NUM njb-45 167 2 . . PUNCT njb-45 168 1 schwartz schwartz PROPN njb-45 168 2 hs hs PROPN njb-45 168 3 , , PUNCT njb-45 168 4 garofalo garofalo PROPN njb-45 168 5 m m PROPN njb-45 168 6 , , PUNCT njb-45 168 7 sternberg sternberg PROPN njb-45 168 8 ss ss PROPN njb-45 168 9 , , PUNCT njb-45 168 10 philips philips PROPN njb-45 168 11 fs fs PROPN njb-45 168 12 : : PUNCT njb-45 168 13 hydroxyurea hydroxyurea PROPN njb-45 168 14 : : PUNCT njb-45 168 15 inhibition inhibition NOUN njb-45 168 16 of of ADP njb-45 168 17 deoxyribonucleic deoxyribonucleic ADJ njb-45 168 18 acid acid NOUN njb-45 168 19 synthesis synthesis NOUN njb-45 168 20 in in ADP njb-45 168 21 regenerating regenerate VERB njb-45 168 22 liver liver NOUN njb-45 168 23 of of ADP njb-45 168 24 rats rat NOUN njb-45 168 25 . . PUNCT njb-45 169 1 cancer cancer NOUN njb-45 169 2 res res PROPN njb-45 169 3 1965 1965 NUM njb-45 169 4 , , PUNCT njb-45 169 5 25:1867 25:1867 NUM njb-45 169 6 - - PUNCT njb-45 169 7 1870 1870 NUM njb-45 169 8 . . PUNCT njb-45 170 1 17 17 NUM njb-45 170 2 . . PUNCT njb-45 170 3 krackoff krackoff PROPN njb-45 170 4 ih ih PROPN njb-45 170 5 , , PUNCT njb-45 170 6 savel savel PROPN njb-45 170 7 h h PROPN njb-45 170 8 , , PUNCT njb-45 170 9 murphy murphy PROPN njb-45 170 10 ml ml PROPN njb-45 170 11 : : PUNCT njb-45 170 12 phase phase PROPN njb-45 170 13 ii ii PROPN njb-45 170 14 studies study NOUN njb-45 170 15 of of ADP njb-45 170 16 hydroxyurea hydroxyurea PROPN njb-45 170 17 ( ( PUNCT njb-45 170 18 nsc32065 nsc32065 NOUN njb-45 170 19 ) ) PUNCT njb-45 170 20 in in ADP njb-45 170 21 adults adult NOUN njb-45 170 22 : : PUNCT njb-45 170 23 clinical clinical ADJ njb-45 170 24 evaluation evaluation NOUN njb-45 170 25 of of ADP njb-45 170 26 cancer cancer NOUN njb-45 170 27 . . PUNCT njb-45 171 1 cancer cancer PROPN njb-45 171 2 chemother chemother PROPN njb-45 171 3 rep1964 rep1964 PROPN njb-45 171 4 , , PUNCT njb-45 171 5 40 40 NUM njb-45 171 6 : : SYM njb-45 171 7 53 53 NUM njb-45 171 8 - - SYM njb-45 171 9 5 5 NUM njb-45 171 10 . . NUM njb-45 171 11 18 18 NUM njb-45 171 12 . . PUNCT njb-45 172 1 kennedy kennedy PROPN njb-45 172 2 bj bj PROPN njb-45 172 3 : : PUNCT njb-45 172 4 hydroxyurea hydroxyurea PROPN njb-45 172 5 therapy therapy NOUN njb-45 172 6 in in ADP njb-45 172 7 chronic chronic ADJ njb-45 172 8 myelogenous myelogenous ADJ njb-45 172 9 leukemia leukemia NOUN njb-45 172 10 . . PUNCT njb-45 173 1 cancer cancer NOUN njb-45 173 2 1972 1972 NUM njb-45 173 3 . . PUNCT njb-45 174 1 29 29 NUM njb-45 174 2 : : PUNCT njb-45 174 3 1052 1052 NUM njb-45 174 4 - - SYM njb-45 174 5 1055 1055 NUM njb-45 174 6 . . PUNCT