id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-269470-emzr3dzb	Menéndez, Cintia A.	Molecular characterization of ebselen binding activity to SARS-CoV-2 main protease	2020-09-11		.txt	text/plain	4729	252	56	In addition, the authors considered the potential mutability of residues belonging to the M pro catalytic site and explained that the development of drug resistance associated with the natural evolution of M pro could wipe out efforts that target this protein for COVID-19 treatment. Apart from these residues, ebselen bound at both sites shows the lowest  factor values; however, at this specific point, this system exhibits as high flexibility as M pro -apo protein (Fig. 3A , green line). A total of more than 6 s of classical MD simulations of SARS-CoV-2 M pro -apo state and M pro -ebselen complex were run using the AMBER18 (29) simulation package (3 s, ebselen as a molecular probe; 2.4 s, shear strain analysis; 100 ns, water structure and flux analysis; 990 ns, free energy analysis).	./cache/cord-269470-emzr3dzb.txt	./txt/cord-269470-emzr3dzb.txt