Inhibition mechanism and hot-spot prediction of nine potential drugs for SARS-CoV-2 Mproby large-scale molecular dynamic simulations combined with accurate binding free energy calculations

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作者：
School of Physics and Electronics, Shandong Normal University, Jinan [1 ]
250014, China
不详 [2 ]
200062, China
不详 [3 ]
200062, China
不详 [4 ]
NY
10003, United States
不详 [5 ]
030006, China
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Nanoscale | 2040年 / 17卷 / 8313-8332期
关键词：
461.6 Medicine and Pharmacology - 461.7 Health Care - 641.1 Thermodynamics - 801.4 Physical Chemistry - 802.2 Chemical Reactions - 815.1.1 Organic Polymers - 931.3 Atomic and Molecular Physics;
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摘要：
Coronavirus
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