Maximum common binding modes (MCBM): Consensus docking scoring using multiple ligand information and interaction fingerprints

Journal of Chemical Information and Modeling

Volumn 48, Issue 2, 2008, Pages 319-332

  Renner, Steffen ^a,d   Derksen, Swetlana ^a,b   Radestock, Sebastian ^a,b   Mörchen, Fabian ^c  

^a MERZ PHARMACEUTICALS GMBH   (Germany)

^b GOETHE UNIVERSITY   (Germany)

^c SIEMENS CORPORATE RESEARCH   (United States)

^d MAX PLANCK INSTITUTE OF MOLECULAR PHYSIOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; LIGANDS; SELF ORGANIZING MAPS;

BINDING MODES; SCORING FUNCTIONS;

DRUG INTERACTIONS;

CYCLIN DEPENDENT KINASE 2; DIHYDROFOLATE REDUCTASE; LIGAND; P16 PROTEASE, HUMAN IMMUNODEFICIENCY VIRUS 1; PROTEIN; PROTEINASE; THROMBIN;

ARTICLE; BINDING SITE; CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; PROTEIN BINDING;

BINDING SITES; COMPUTER SIMULATION; CYCLIN-DEPENDENT KINASE 2; DRUG DESIGN; HIV PROTEASE; LIGANDS; PROTEIN BINDING; PROTEINS; TETRAHYDROFOLATE DEHYDROGENASE; THROMBIN;

EID: 41549114720     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci7003626     Document Type: Article

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