SKATE: A docking program that decouples systematic sampling from scoring

Journal of Computational Chemistry

Volumn 31, Issue 14, 2010, Pages 2540-2554

  Feng, Jianwen A ^a   Marshall, Garland R ^a  

^a WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

consensus scoring drug discovery; discriminant analysis; systematis search; virtual screening

Indexed keywords

ADAPTIVE SAMPLING; CROSSDOCKING; CYCLIN-DEPENDENT KINASE; DOCKING ACCURACY; DOCKING PROGRAMS; DRUG DISCOVERY; NATIVE STRUCTURES; RADIAL SAMPLING; SCORING FUNCTIONS; SYSTEMATIC SAMPLING; SYSTEMATIS SEARCH; THYMIDINE KINASE; TRANSLATIONAL DEGREES OF FREEDOMS; VERTEX SET; VIRTUAL SCREENING;

DEGREES OF FREEDOM (MECHANICS); DISCRIMINANT ANALYSIS; DOCKING; JOINTS (STRUCTURAL COMPONENTS);

LIGANDS;

CYCLIN DEPENDENT KINASE; LIGAND; THYMIDINE KINASE;

ALGORITHM; ARTICLE; BINDING SITE; BIOLOGY; CHEMICAL STRUCTURE; COMPUTER PROGRAM; DRUG DEVELOPMENT; HYDROGEN BOND; METABOLISM; METHODOLOGY; ROTATION; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; BINDING SITES; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; CYCLIN-DEPENDENT KINASES; DRUG DISCOVERY; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; ROTATION; SOFTWARE; THYMIDINE KINASE;

EID: 78149450921     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21545     Document Type: Article

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