Open AccessFast and Effective Prediction of the Absolute Binding Free Energies of Covalent Inhibitors of SARS-CoV-2 Main Protease and 20S Proteasome
Author(s) -
Jiao Zhou,
Arjun Saha,
Ziwei Huang,
Arieh Warshel
Publication year - 2022
Publication title -
journal of the american chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.115
H-Index - 612
eISSN - 1520-5126
pISSN - 0002-7863
DOI - 10.1021/jacs.2c00853
Subject(s) - covalent bond , chemistry , warhead , non covalent interactions , computational chemistry , combinatorial chemistry , hydrogen bond , molecule , organic chemistry , physics , nuclear physics
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