Mean field analysis of FKBP12 complexes with FK506 and rapamycin: Implications for a role of crystallographic water molecules in molecular recognition and specificity

Proteins: Structure, Function and Genetics

Volumn 28, Issue 3, 1997, Pages 313-324

  Rejto, Paul A ^a   Verkhivker, Gennady M ^a  

^a AGOURON PHARMACEUTICALS INC   (United States)

Author keywords

Binding energy landscapes; Minimal frustration principle; Molecular docking; Receptor specific binding; Structural water molecules

Indexed keywords

RAPAMYCIN; TACROLIMUS;

ARTICLE; CRYSTAL STRUCTURE; DRUG PROTEIN BINDING; MATHEMATICAL ANALYSIS; MOLECULAR INTERACTION; MOLECULAR RECOGNITION; PRIORITY JOURNAL; RECEPTOR AFFINITY;

CARRIER PROTEINS; CRYSTALLOGRAPHY, X-RAY; DNA-BINDING PROTEINS; HEAT-SHOCK PROTEINS; KINETICS; LIGANDS; MACROMOLECULAR SUBSTANCES; MODELS, CHEMICAL; MODELS, MOLECULAR; POLYENES; SIROLIMUS; TACROLIMUS; TACROLIMUS BINDING PROTEINS; THERMODYNAMICS; WATER;

EID: 0031008974     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(199707)28:3<313::AID-PROT2>3.0.CO;2-D     Document Type: Article

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