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Mechanism of Inhibition of SARS-CoV-2 Mpro by N3 Peptidyl Michael Acceptor Explained by QM/MM Simulations and Design of New Derivatives with Tunable Chemical Reactivity (2020)

First Author: Arafet K

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/10.26434/chemrxiv.12941819

Publication URI: http://dx.doi.org/10.26434/chemrxiv.12941819

Type: Preprint