Scoring ligand similarity in structure-based virtual screening

Journal of Molecular Recognition

Volumn 22, Issue 4, 2009, Pages 280-292

  Zavodszky, Maria I ^a,b,d   Rohatgi, Anjali ^a   Van Voorst, Jeffrey R ^a,b,c   Yan, Honggao ^a,b   Kuhn, Leslie A ^a,b,c  

^a Michigan State University   (United States)

^b MICHIGAN STATE UNIVERSITY   (United States)

^c Michigan State University   (United States)

^d GE GLOBAL RESEARCH   (United States)

Author keywords

Affinity scoring; Docking; Drugscore; EON; Gold score; High throughput screening; Inhibitor discovery; Interaction fingerprints; SLIDE; Thrombin

Indexed keywords

ENZYME INHIBITOR; LIGAND; THROMBIN;

ARTICLE; BIOASSAY; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG SCREENING; HUMAN; METHODOLOGY; NATIONAL HEALTH ORGANIZATION; STANDARD; STRUCTURE ACTIVITY RELATION; UNITED STATES;

BIOLOGICAL ASSAY; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; HUMANS; LIGANDS; MODELS, MOLECULAR; NATIONAL CANCER INSTITUTE (U.S.); REFERENCE STANDARDS; STRUCTURE-ACTIVITY RELATIONSHIP; THROMBIN; UNITED STATES;

EID: 67650236889     PISSN: 09523499     EISSN: 10991352     Source Type: Journal    
DOI: 10.1002/jmr.942     Document Type: Article

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