Maximizing discovery efficiency with a computationally driven fragment approach

Current Opinion in Drug Discovery and Development

Volumn 8, Issue 3, 2005, Pages 355-364

  Moore Jr , William R ^a  

^a Locus Pharmaceuticals   (United States)

Author keywords

Binding site predictions; Fragment; Free energy; Grand canonical ensembles; Protein flexibility; Simulated annealing

Indexed keywords

NEW DRUG;

ACCURACY; COMPUTER AIDED DESIGN; COMPUTER SIMULATION; COST EFFECTIVENESS ANALYSIS; DRUG CONFORMATION; DRUG DESIGN; DRUG INDUSTRY; DRUG RESEARCH; DRUG SCREENING; DRUG SYNTHESIS; ENERGY; PATENT; RELIABILITY; REVIEW;

ANIMALS; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DRUG DESIGN; HUMANS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN ENGINEERING;

EID: 17844391276     PISSN: 13676733     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Review

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