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Article

Molecular dynamics simulations provide insights into the origin of gleevec's selectivity toward human tyrosine kinases.

Journal of biomolecular structure & dynamics - 1 Jul 2019

Wang Lulu, Zheng Guodong, Liu Xianxian, Ni Duan, He Xinheng, Cheng Jinying, Lu Shaoyong

Abstract excerpt

Protein kinases are critical drug targets against cancer. Since the discovery of Gleevec, a specific inhibitor of Abl kinase, the capability of this drug to distinguish between Abl and other tyrosine kinases, such as Src, has been intensely investigated but the origin of Gleevec's selectivity to Abl against Src is less studied. Here, we performed molecular dynamics (MD) simulations, dynamical cross-correlation...

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Identifiers

PMID: 30052122
DOI: 10.1080/07391102.2018.1496139

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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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