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Article

Basis for resistance to imatinib in 16 BCR-ABL mutants as determined using molecular dynamics.

Recent patents on anti-cancer drug discovery - 1 Jun 2009

Lee Tai-Sung, Potts Steven J, Albitar Maher

Abstract excerpt

Large-scale (approximately 36,000 atoms) long-time (30 ns each) molecular dynamics (MD) simulations on the complex of imatinib and 16 common mutants of the ABL tyrosine kinase domain have been performed to study the imatinib resistance mechanisms at the atomic level. MD simulations show that long time computational simulations could offer insight information that static models, simple homology modeling methods,...

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Share to Antineoplastic Agents
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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Source

Identifiers

PMID: 19519539
DOI: 10.2174/157489209788452867

Genes

BCR

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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