A computational model of binding thermodynamics: The design of cyclin-dependent kinase 2 inhibitors

Journal of Medicinal Chemistry

Volumn 46, Issue 15, 2003, Pages 3314-3325

  Sims, Peter A ^a   Wong, Chung F ^a,b   McCammon, J Andrew ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b San Diego   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTINEOPLASTIC AGENT; CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE INHIBITOR; FLAVOPIRIDOL; SOLVENT;

ARTICLE; BINDING AFFINITY; CALCULATION; DRUG BINDING; DRUG DESIGN; DRUG STRUCTURE; ELECTRICITY; ENERGY; HYDROPHOBICITY; MOLECULAR INTERACTION; MOLECULAR MODEL; POISSON DISTRIBUTION; PROTEIN INTERACTION; SCALE UP; SOLVATION; SURFACE PROPERTY; THERMODYNAMICS;

BINDING SITES; CDC2 PROTEIN KINASE; CDC2-CDC28 KINASES; COMPUTING METHODOLOGIES; CYCLIN-DEPENDENT KINASE 2; CYCLIN-DEPENDENT KINASE 4; CYCLIN-DEPENDENT KINASES; DRUG DESIGN; ENZYME INHIBITORS; FLAVONOIDS; MODELS, BIOLOGICAL; PIPERIDINES; PROTEIN BINDING; PROTEIN-SERINE-THREONINE KINASES; PROTO-ONCOGENE PROTEINS; THERMODYNAMICS;

EID: 0037479908     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm0205043     Document Type: Article

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