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Article

Entropic Overcompensation of the N501Y Mutation on SARS-CoV-2 S Binding to ACE2.

Journal of chemical information and modeling - 23 Jan 2023

Vergara Natasha Gupta, Gatchel Megan, Abrams Cameron F

Abstract excerpt

Recent experimental work has shown that the N501Y mutation in the SARS-CoV-2 S glycoprotein's receptor binding domain (RBD) increases binding affinity to the angiotensin-converting enzyme 2 (ACE2), primarily by overcompensating for a less favorable enthalpy of binding by greatly reducing the entropic penalty for complex formation, but the basis for this entropic overcompensation is not clear [Prévost et al. J....

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Identifiers

PMID: 36584335
DOI: 10.1021/acs.jcim.2c01246
PMCID: PMC9843633

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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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