Article

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

2024-03-14

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 constrai...

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Literature Corpus work: ebd6f78f-8e32-54a2-bec7-f9835006f9de
DOI: 10.1101/2024.03.12.584688

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