Corpus overview


MeSH Disease

There are no MeSH Disease terms in the subcorpus

HGNC Genes

SARS-CoV-2 proteins

ProteinS (1)

ORF3a (1)


SARS-CoV-2 Proteins
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    Molecular dynamics simulation study of effects of key mutations in SARS-CoV-2 on protein structures

    Authors: Jerome Rumdon Lon; Binbin Xi; Bingxu Zhong; Yiyuan Zheng; Pei Guo; Zixi Chen; Hongli Du

    doi:10.1101/2021.02.03.429495 Date: 2021-02-03 Source: bioRxiv

    SARS-CoV-2 has been spreading rapidly since 2019 and has produced large-scale mutations in the genomes. Differences in gene sequences may lead to changes in protein structure and traits, which would have a great impact on the epidemiological characteristics. In this study, we selected the key mutations of SARS-CoV-2, including D614G and A222V of S protein PROTEIN S protein HGNC and Q57H of ORF3a PROTEIN protein, to conduct molecular dynamics simulation and analysis on the structures of the mutant proteins. The results suggested that D614G improved the stability of S protein PROTEIN S protein HGNC, while A222V enhanced the ability of protein to react with the outside environment. Q57H enhanced the structural flexibility of ORF3a PROTEIN protein. Our findings could complete the mechanistic link between genotype--phenotype--epidemiological characteristics in the study of SARS-CoV-2. We also found no significant changes in the antigenicity of S protein HGNC S protein PROTEIN, ORF3a PROTEIN protein and their mutants, which provides reference for vaccine development and application.

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MeSH Disease
HGNC Genes
SARS-CoV-2 Proteins

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