id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-310201-70fj4fhr	Wei, D.-Q.	Anti-SARS drug screening by molecular docking	2006-05-22		.txt	text/plain	3577	202	60	(2003) and Chou (2004) found the fitting problem of AG7088 to the binding pocket of SARS CoV Mpro, and they suggested its derivative KZ7088 as a better starting point. Furthermore, the intermolecular hydrogen bonds and electrostatic interaction, whose effects have already been counted in the binding energy, were also investigated in order to find useful information for drug design. In contrast, if ranking the docking results according to the binding free energy which includes the torsional term as shown in Rank 2 of Table 1 , it was found that most of the top-20 ligands interacted quite well with the receptor in the pocket. A comparison of the results between Ranks 1 and 2 suggests that the binding free energy is more reliable as a criterion for the virtual screening via molecular docking. Hydrogen bonds between ligand 4 and the involved residues of SARS CoV Mpro.	./cache/cord-310201-70fj4fhr.txt	./txt/cord-310201-70fj4fhr.txt