Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs 论文

2020Proceedings of the National Academy of Sciences引用 228
DOI
Computational Drug Discovery MethodsProtein Structure and DynamicsPharmacological Receptor Mechanisms and Effects
Protein Structure and DynamicsComputational Drug Discovery MethodsPharmacological Receptor Mechanisms and Effects
相关技术:Computational Drug Discovery Methods
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Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs · 作者

K

Kunqian Yu

H

Hai‐Bin Luo

C

Chang‐Guo Zhan

J

Jun Cui

Y

Yuxia Zhang

X

Ximing Xu

D

Deyan Wu

Y

Yuxi Lin

L

Lingli Zhou

R

Runduo Liu

Y

Yaoxing Wu

Y

Yi-You Huang