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Article

Predicting Mutation-Induced Allosteric Changes in Structures and Conformational Ensembles of the ABL Kinase Using AlphaFold2 Adaptations with Alanine Sequence Scanning.

International journal of molecular sciences - 19 Sept 2024

Raisinghani Nishank, Alshahrani Mohammed, Gupta Grace, Verkhivker Gennady

Abstract excerpt

Despite the success of AlphaFold2 approaches in predicting single protein structures, these methods showed intrinsic limitations in predicting multiple functional conformations of allosteric proteins and have been challenged to accurately capture the effects of single point mutations that induced significant structural changes. We examined several implementations of AlphaFold2 methods to predict conformational...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 39337567
DOI: 10.3390/ijms251810082
PMCID: PMC11432724

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