id	author	title	date	pages	extension	mime	words	sentence	flesch	summary	cache	txt
bjp-13034	Ravi Kumar, Gundampati; Chandrasekaran, Sambamurthy; Jagannadham, Medicherla V.	Molecular docking study on the interaction between trypanothione reductase and mangiferin for antileishmanial activity	2012	5	.pdf	application/pdf	2535	119	48	Protein preparation for docking The 3D structure of Leishmania Infantum Try R (PDB ID: 2jk6) was downloaded from Protein Data Bank (PDB) (http://www.pdb.org/pdb/home/home.do), before initiating the docking simulations, all non-protein mole- cules were removed from Try R (Figure 1); for any alternative atom locations only the first location was retained. For each ligand, a docking experiment consis- ting of 100 stimulations was performed and the analysis was based on binding free energies and root mean square deviation (RMSD) values, and the ligand mole- cules were then ranked in the order of increasing docking energies.	cache/bjp-13034.pdf	txt/bjp-13034.txt