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ChemMedChem

Volumn 5, Issue 7, 2010, Pages 1007-1014

High-throughput virtual screening using quantum mechanical probes: Discovery of selective kinase inhibitors

(2) Zhou, Ting a Caflisch, Amedeo a

a UNIVERSITY OF ZURICH (Switzerland)

Author keywords

Gatekeepers; High throughput screening; Inhibitors; Kinases; Quantum mechanics

Indexed keywords

ADENOSINE TRIPHOSPHATE; EPHRIN RECEPTOR B4; LIGAND; PHOSPHOTRANSFERASE INHIBITOR; MOLECULAR LIBRARY; PROTEIN KINASE INHIBITOR;

ARTICLE; BINDING AFFINITY; DRUG BINDING SITE; ENERGY; FORCE; HIGH THROUGHPUT SCREENING; HYDROPHOBICITY; MECHANICAL PROBE; MOLECULAR DOCKING; POLARIZATION; PRIORITY JOURNAL; QUANTUM MECHANICS; ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; HUMAN; METABOLISM; MOLECULAR LIBRARY; PHARMACOLOGY; PROCEDURES; QUANTUM THEORY; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

BINDING SITES; COMPUTER SIMULATION; DRUG DESIGN; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; PROTEIN KINASE INHIBITORS; QUANTUM THEORY; RECEPTOR, EPHB4; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 77954114200 PISSN: 18607179 EISSN: 18607187 Source Type: Journal
DOI: 10.1002/cmdc.201000085 Document Type: Article

Times cited : (38)

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