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Article

Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD.

Communications biology - 17 Sept 2024

D'Arrigo Giulia, Kokh Daria B, Nunes-Alves Ariane, Wade Rebecca C

Abstract excerpt

The dissociation rate, or its reciprocal, the residence time (τ), is a crucial parameter for understanding the duration and biological impact of biomolecular interactions. Accurate prediction of τ is essential for understanding protein-protein interactions (PPIs) and identifying potential drug targets or modulators for tackling diseases. Conventional molecular dynamics simulation techniques are inherently...

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PMID: 39289580
DOI: 10.1038/s42003-024-06880-5
PMCID: PMC11408511

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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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