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Article

A Computational Workflow to Predict Biological Target Mutations: The Spike Glycoprotein Case Study.

Molecules (Basel, Switzerland) - 14 Oct 2023

Cozzini Pietro, Agosta Federica, Dolcetti Greta, Dal Palù Alessandro

Abstract excerpt

The biological target identification process, a pivotal phase in the drug discovery workflow, becomes particularly challenging when mutations affect proteins' mechanisms of action. COVID-19 Spike glycoprotein mutations are known to modify the affinity toward the human angiotensin-converting enzyme ACE2 and several antibodies, compromising their neutralizing effect. Predicting new possible mutations would be an...

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Identifiers

PMID: 37894561
DOI: 10.3390/molecules28207082
PMCID: PMC10609230

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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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