Design of combinatorial libraries for the exploration of virtual hits from fragment space searches with LoFT

Journal of Chemical Information and Modeling

Volumn 52, Issue 2, 2012, Pages 373-379

  Lessel, Uta ^a   Wellenzohn, Bernd ^a   Fischer, J Robert ^b   Rarey, Matthias ^b  

^a BOEHRINGER INGELHEIM PHARMA GMBH AND CO KG   (Germany)

^b UNIVERSITY OF HAMBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHIPS; BUILDINGS; FORESTRY; SCAFFOLDS;

ALTERNATIVE DESIGNS; COMBINATORIAL CHEMISTRY; COMBINATORIAL LIBRARY; FEATURE TREE; OPTIMIZERS; SCORING FUNCTIONS; SPACE SEARCH; SPACE-BASED;

DIGITAL LIBRARIES;

BUILDINGS; COMPUTER PROGRAMS; DESIGN; FORESTRY; SCAFFOLDS; THREE DIMENSIONAL DESIGN;

CDK2 PROTEIN, HUMAN; CYCLIN DEPENDENT KINASE 2;

ARTICLE; COMBINATORIAL CHEMISTRY; COMPUTER PROGRAM; DRUG DESIGN; DRUG EFFECT; HUMAN; MOLECULAR LIBRARY;

COMBINATORIAL CHEMISTRY TECHNIQUES; CYCLIN-DEPENDENT KINASE 2; DRUG DESIGN; HUMANS; SMALL MOLECULE LIBRARIES; SOFTWARE;

EID: 84857581580     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2003957     Document Type: Conference Paper

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