Article
Mutation Effects on Structure and Dynamics: Adaptive Evolution of the SARS-CoV-2 Main Protease.
Biochemistry - 7 Feb 2023
Diessner Elizabeth M, Takahashi Gemma R, Cross Thomas J, Martin Rachel W, Butts Carter T
Abstract excerpt
The main protease of SARS-CoV-2 (Mpro) plays a critical role in viral replication; although it is relatively conserved, Mpro has nevertheless evolved over the course of the COVID-19 pandemic. Here, we examine phenotypic changes in clinically observed variants of Mpro, relative to the originally reported wild-type enzyme. Using atomistic molecular dynamics simulations, we examine effects of mutation on protein...
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