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Article

Structural basis of specific binding between Aurora A and TPX2 by molecular dynamics simulations.

Journal of chemical information and modeling - 24 Oct 2011

Cheng Yuanhua, Zhang Fushi, Chen Quan, Gao Jian, Cui Wei, Ji Mingjuan, Tung Chen-Ho

Abstract excerpt

In the present study, the impacts of G198N and W128F mutations on the recognition between Aurora A and targeting protein of Xenopus kinesin-like protein 2 (TPX2) were investigated using molecular dynamics (MD) simulations, free energy calculations, and free energy decomposition analysis. The predicted binding free energy of the wild-type complex is more favorable than those of three mutants, indicating that both...

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Source

Identifiers

PMID: 21919471
DOI: 10.1021/ci2002439

Genes

TPX2

Variants

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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