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Article

Elucidating conformational dynamics of GDP/GTP-KRAS complexes caused by mutations from the switch domain I through Gaussian accelerated molecular dynamics simulations.

Journal of biomolecular structure & dynamics - 1 Jun 2026

Shi Shuhua, Liu Aijia, Guo Yutian

Abstract excerpt

The conformational dynamics of the switch domain 1 (SWI) of KRAS plays an important role in binding of KRAS to effectors. Clarifying molecular mechanism of the effect of mutations in SWI on conformational dynamics of KRAS is of significance for understanding the function of KRAS. Gaussian accelerated molecular dynamics (GaMD) simulations were performed on GDP/GTP-wild type (WT) and mutated KRAS to investigate the...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 41489074
DOI: 10.1080/07391102.2025.2610685

Genes

KRAS

Variants

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 3 Sept 2026.

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Elucidating conformational dynamics of GDP/GTP-KRAS complexes caused by mutations from the switch domain I through Gaussian accelerated molecular dynamics simulations.PMID 41489074Read ↗

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