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10.1056/NEJMra1804281 65 GaoC.JiS.DongW.QiY.SongW.CuiD.et al (2015)

SARS-CoV-2 and the brain: What do we know about the causality of cognitive COVID

Journal of Neurosciences in Rural Practice

By means of 128 processors and 24 hours, ~200,000 different ligand conformations were obtained that allowed to evaluate the absolute binding free energy (G) by Markov State Models (MSM) analysis 39