Novel method for generating structure-based pharmacophores using energetic analysis

Journal of Chemical Information and Modeling

Volumn 49, Issue 10, 2009, Pages 2356-2368

  Salam, Noeris K ^a   Nuti, Roberto ^b   Sherman, Woody ^a  

^a SCHRÖDINGER INC   (United States)

^b UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

DATABASE SYSTEMS; LIGANDS; MOLECULES;

ACTIVE COMPOUNDS; ACTIVE MOLECULES; DATABASE SCREENINGS; ENERGETIC ANALYSIS; IN-SILICO SCREENING; RECEPTOR LIGANDS; SCORING FUNCTIONS; SYSTEMATIC ASSESSMENT;

PHARMACODYNAMICS;

ENZYME INHIBITOR; LIGAND; PROTEIN;

ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG ANTAGONISM; DRUG SCREENING; HUMAN; HYDROGEN BOND; HYDROPHOBICITY; METABOLISM; METHODOLOGY; PROTEIN DATABASE; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; HUMANS; HYDROGEN BONDING; HYDROPHOBICITY; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEINS; THERMODYNAMICS;

EID: 70350513554     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900212v     Document Type: Article

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