Understanding kinase selectivity through energetic analysis of binding site waters

ChemMedChem

Volumn 5, Issue 4, 2010, Pages 618-627

  Robinson, Daniel D ^a   Sherman, Woody ^a   Farid, Ramy ^a  

^a SCHRÖDINGER INC   (United States)

Author keywords

Entropy; Kinases; Selectivity; Thermodynamics; WaterMap

Indexed keywords

ABELSON KINASE; CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE 4; CYCLOSPORIN A; IMATINIB; PHOSPHOTRANSFERASE; PROTEIN KINASE SYK; PROTEIN KINASE ZAP 70; PROTEIN TYROSINE KINASE; PYRIMIDINE DERIVATIVE; STEM CELL FACTOR; TACROLIMUS; WATER;

ARTICLE; BINDING SITE; CHRONIC MYELOID LEUKEMIA; CRYSTAL STRUCTURE; ENERGY; ENZYME ACTIVE SITE; ENZYME STRUCTURE; GRAFT REJECTION; IC 50; PRIORITY JOURNAL; PROTEIN BINDING; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

BINDING SITES; COMPUTER SIMULATION; CYCLIN-DEPENDENT KINASE 2; DATABASES, PROTEIN; INTRACELLULAR SIGNALING PEPTIDES AND PROTEINS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; PROTEIN-TYROSINE KINASES; PROTO-ONCOGENE PROTEINS C-ABL; SRC-FAMILY KINASES; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; WATER;

EID: 77950678935     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.200900501     Document Type: Article

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