About: Prefusion spike protein stabilization through computational mutagenesis

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An Entity of Type : schema:ScholarlyArticle, within Data Space : covidontheweb.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Prefusion spike protein stabilization through computational mutagenesis
Creator	Wang, Jian Zhang, Dong Dokholyan, Nikolay
Source	BioRxiv
abstract	A novel severe acute respiratory syndrome (SARS)-like coronavirus (SARS-CoV-2) has emerged as a human pathogen, causing global pandemic and resulting in over 400,000 deaths worldwide. The surface spike protein of SARS-CoV-2 mediates the process of coronavirus entry into human cells by binding angiotensin-converting enzyme 2 (ACE2). Due to the critical role in viral-host interaction and the exposure of spike protein, it has been a focus of most vaccines’ developments. However, the structural and biochemical studies of the spike protein are challenging because it is thermodynamically metastable1. Here, we develop a new pipeline that automatically identifies mutants that thermodynamically stabilize the spike protein. Our pipeline integrates bioinformatics analysis of conserved residues, motion dynamics from molecular dynamics simulations, and other structural analysis to identify residues that significantly contribute to the thermodynamic stability of the spike protein. We then utilize our previously developed protein design tool, Eris, to predict thermodynamically stabilizing mutations in proteins. We validate the ability of our pipeline to identify protein stabilization mutants through known prefusion spike protein mutants. We finally utilize the pipeline to identify new prefusion spike protein stabilization mutants.
has issue date	2020-06-19(xsd:dateTime)
bibo:doi	10.1101/2020.06.17.157081
has license	biorxiv
sha1sum (hex)	88feff932fe1dde23435a79a296c16cda0d6880f
schema:url	https://doi.org/10.1101/2020.06.17.157081
resource representing a document's title	Prefusion spike protein stabilization through computational mutagenesis
schema:publication	bioRxiv
resource representing a document's body	covid:88feff932fe1dde23435a79a296c16cda0d6880f#body_text
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