Comparative binding energy analysis considering multiple receptors: A step toward 3D-QSAR models for multiple targets

Journal of Medicinal Chemistry

Volumn 49, Issue 21, 2006, Pages 6241-6253

  Murcia, Marta ^a,b,c   Morreale, Antonio ^b   Ortiz, Angel R ^b  

^a MOUNT SINAI SCHOOL OF MEDICINE   (United States)

^b UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^c WEILL CORNELL MEDICAL COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

3 AMIDINOPHENYLALANINE; AMIDINE; BLOOD CLOTTING FACTOR 10A; LYSINE; PHENYLALANINE DERIVATIVE; THROMBIN; TRYPSIN; UNCLASSIFIED DRUG;

ANALYSIS; ARTICLE; BINDING AFFINITY; BINDING SITE; COMPARATIVE BINDING ENERGY ANALYSIS; ENERGY; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR RECOGNITION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR AFFINITY; RECEPTOR BINDING; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING;

AMINO ACID SEQUENCE; BENZENESULFONATES; BINDING SITES; ELECTROSTATICS; FACTOR XA; LIGANDS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; NAPHTHALENESULFONATES; PHENYLALANINE; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; SERINE PROTEINASE INHIBITORS; STATIC ELECTRICITY; THERMODYNAMICS; THROMBIN; TRYPSIN;

EID: 33750128643     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm060350h     Document Type: Article

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