Binding mechanism of inhibitors to SARS-CoV-2 main protease deciphered by multiple replica molecular dynamics simulations-Reference-Cited by-同舟云学术

Binding mechanism of inhibitors to SARS-CoV-2 main protease deciphered by multiple replica molecular dynamics simulations

Author:

Liang Shanshan¹,Liu Xinguo¹^ORCID,Zhang Shaolong¹,Li Meng¹,Zhang Qinggang¹^ORCID,Chen Jianzhong²^ORCID

Affiliation:

1. School of Physics and Electronics, Shandong Normal University, Jinan, 250358, China

2. School of Science, Shandong Jiaotong University, Jinan, 250357, China

Abstract

Decoding interaction mechanism and hot spots for inhibitor-SARS-CoV-2 Mpro binding.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shandong Province

Key Technology Research and Development Program of Shandong

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference110 articles.

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