Novel procedure for modeling ligand/receptor induced fit effects

Journal of Medicinal Chemistry

Volumn 49, Issue 2, 2006, Pages 534-553

  Sherman, Woody ^a   Day, Tyler ^a   Jacobson, Matthew P ^b   Friesner, Richard A ^c   Farid, Ramy ^a  

^a SCHRÖDINGER INC   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1051U91; 4 [5 (4 BROMOPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOL 1 YL]BENZENESULFONAMIDE; 4 HYDROXYTAMOXIFEN; AMIDE; BLOOD CLOTTING FACTOR 10A; CYCLIN DEPENDENT KINASE 2; CYCLOOXYGENASE 2; DIHYDROPYRAN PHENETHYLPROPYLCARBOXAMIDE; ENZYME ACTIVATOR; ENZYME INHIBITOR; ESTROGEN RECEPTOR; FARGLITAZAR; FLURBIPROFEN; FX 2212A; FXV 673; GLUTAMIC ACID DERIVATIVE; LIGAND; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA; PROGESTERONE; PROTEIN INHIBITOR; PYRIDINE DERIVATIVE; RALOXIFENE; RECEPTOR; ROSIGLITAZONE; SIALIC ACID; SIALIDASE; STAUROSPORINE; THERMOLYSIN; TNK 6123; TOLRESTAT; UNCLASSIFIED DRUG; URACIL DERIVATIVE;

ACCURACY; ARTICLE; CRYSTAL STRUCTURE; DRUG PROTEIN BINDING; LIGAND BINDING; MOLECULAR INTERACTION; PREDICTION; PROTEIN CONFORMATION; PROTEIN STRUCTURE; STRUCTURE ANALYSIS;

BINDING SITES; LIGANDS; MATHEMATICAL COMPUTING; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 31544450787     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm050540c     Document Type: Article

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