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Article

Modelling SARS-CoV-2 spike-protein mutation effects on ACE2 binding.

Journal of molecular graphics & modelling - 1 Mar 2023

Thakur Shivani, Verma Rajaneesh Kumar, Kepp Kasper Planeta, Mehra Rukmankesh

Abstract excerpt

The binding affinity of the SARS-CoV-2 spike (S)-protein to the human membrane protein ACE2 is critical for virus function. Computational structure-based screening of new S-protein mutations for ACE2 binding lends promise to rationalize virus function directly from protein structure and ideally aid early detection of potentially concerning variants. We used a computational protocol based on cryo-electron...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Source

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Identifiers

PMID: 36481587
DOI: 10.1016/j.jmgm.2022.108379
PMCID: PMC9690204

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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