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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/10.1039/d0sc06195f

PubMed Identifier: 34163906

Publication URI: http://europepmc.org/abstract/MED/34163906

Type: Journal Article/Review

Volume: 12

Parent Publication: Chemical science

Issue: 4

ISSN: 2041-6520