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Article

Computational and umbrella sampling analysis of HER2 D769H and D769Y variants: mutation-specific structural alterations and drug interactions in breast cancer.

Journal of biological physics - 11 Apr 2026

Loganathan Tamizhini, Doss George Priya C

Abstract excerpt

HER2 plays a crucial role in breast cancer (BC) progression, with the D769H and D769Y mutations significantly influencing its structural integrity, drug-binding dynamics, and therapeutic response. This study employs molecular docking and molecular dynamics simulations (MDS), with trajectories propagated for 1000 ns, to examine their distinct effects. Root mean square deviation (RMSD) analysis indicates increased...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 41964725
DOI: 10.1007/s10867-026-09709-w
PMCID: PMC13070093

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026.

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