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ChemMedChem

Volumn 7, Issue 11, 2012, Pages 1983-1990

Discovery of Tyrosine Kinase Inhibitors by Docking into an Inactive Kinase Conformation Generated by Molecular Dynamics

(3) Zhao, Hongtao a Huang, Danzhi a Caflisch, Amedeo a

a UNIVERSITY OF ZURICH (Switzerland)

Author keywords

Computational chemistry; High throughput docking; Molecular dynamics; TypeII kinase inhibitors; Tyrosine kinases

Indexed keywords

PHOSPHOTRANSFERASE; PROTEIN TYROSINE KINASE INHIBITOR;

ARTICLE; BINDING AFFINITY; COMPUTER MODEL; CRYSTAL STRUCTURE; DRUG SCREENING; ENERGY; ENZYME CONFORMATION; IN VITRO STUDY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

COMPUTATIONAL CHEMISTRY; HIGH-THROUGHPUT DOCKING; MOLECULAR DYNAMICS; TYPE II KINASE INHIBITORS; TYROSINE KINASES;

DRUG DESIGN; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; PROTEIN-TYROSINE KINASES; SMALL MOLECULE LIBRARIES;

EID: 84867343363 PISSN: 18607179 EISSN: 18607187 Source Type: Journal
DOI: 10.1002/cmdc.201200331 Document Type: Article

Times cited : (38)

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