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Journal of Computational Biology
Article . 2020
License: Mary Ann Liebert TDM
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Journal of Computational Biology
Article . 2020 . Peer-reviewed
License: Mary Ann Liebert TDM
Data sources: Crossref
DBLP
Article . 2022
Data sources: DBLP
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Conserved High Free Energy Sites in Human Coronavirus Spike Glycoprotein Backbones

Authors: Penner, Robert C.;

Conserved High Free Energy Sites in Human Coronavirus Spike Glycoprotein Backbones

Abstract

Methods previously developed by the author are applied to uncover several sites of interest in the spike glycoproteins of all known human coronaviruses (hCoVs), including SARS-CoV-2 that causes COVID-19. The sites comprise three-dimensional neighborhoods of peptides characterized by four key properties: (1) they pinpoint regions of high free energy in the backbone whose obstruction might interrupt function; (2) by their very definition, they occur rarely in the universe of all gene-encoded proteins that could obviate host response to compounds designed for their interference; (3) they are common to all known hCoV spikes, possibly retaining activity in light of inevitable viral mutation; and (4) they are exposed in the molecular surface of the glycoprotein. These peptides in SARS-CoV-2 are given by the triples of residues (131, 117, 134), (203, 227, 228), and (1058, 730, 731) in its spike.

Keywords

Models, Molecular, Protein Conformation, SARS-CoV-2, Pneumonia, Viral, COVID-19, Hydrogen Bonding, Coronavirus, Computational Mathematics, Betacoronavirus, Computational Theory and Mathematics, Modelling and Simulation, Spike Glycoprotein, Coronavirus, Genetics, Humans, Thermodynamics, Coronavirus Infections, Databases, Protein, Molecular Biology, Pandemics

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    influence
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
5
Top 10%
Average
Top 10%
hybrid