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Dynamical nonequilibrium molecular dynamics simulations identify allosteric sites and positions associated with drug resistance in the SARS-CoV-2 main protease (2022)

First Author: Chan H

Attributed to: Adaptive Multi-Resolution Massively-Multicore Hybrid Dynamics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1101/2022.12.10.519730

Publication URI: http://dx.doi.org/10.1101/2022.12.10.519730

Type: Preprint