Optimization Rules for SARS-CoV-2 M<sup>pro</sup> Antivirals: Ensemble Docking and Exploration of the Coronavirus Protease Active Site

Optimization Rules for SARS-CoV-2 M<sup>pro</sup> Antivirals: Ensemble Docking and Exploration of the Coronavirus Protease Active Site

Coronaviruses are viral infections that have a significant ability to impact human health. Coronaviruses have produced two pandemics and one epidemic in the last two decades. The current pandemic has created a worldwide catastrophe threatening the lives of over 15 million as of July 2020. Current re...

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Bibliographic Details
Main Authors: Shana V. Stoddard, Serena D. Stoddard, Benjamin K. Oelkers, Kennedi Fitts, Kellen Whalum, Kaylah Whalum, Alexander D. Hemphill, Jithin Manikonda, Linda Michelle Martinez, Elizabeth G. Riley, Caroline M. Roof, Nowreen Sarwar, Doni M. Thomas, Emily Ulmer, Felissa E. Wallace, Pankaj Pandey, Sudeshna Roy
Format: Article
Language:English
Published: MDPI AG 2020-08-01
Series:Viruses
Subjects:
coronaviruses
molecular docking
inhibitor design
molecular interactions
COVID-19
molecular dynamics
Online Access:https://www.mdpi.com/1999-4915/12/9/942

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