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Article

Thermodynamic resilience of wild-type p53 DNA-binding domain and its disruption by the R273H hotspot mutation: insights from REMD simulations.

Physical chemistry chemical physics : PCCP - 30 Apr 2026

Zhao Ziqian, Wang Gang, Qian Zhenyu

Abstract excerpt

The p53 protein is a cornerstone of tumor suppression, yet its functional integrity is frequently compromised by mutations in the DNA-binding domain (DBD). While R273H is conventionally classified as a DNA-contact mutation, recent evidence suggests it may harbor latent structural effects. In this study, we employed enhanced-sampling replica exchange molecular dynamics to delineate the structural-thermodynamic...

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PMID: 41947758
DOI: 10.1039/d6cp00665e

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MSC

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

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