Docking and scoring in virtual screening for drug discovery: Methods and applications

Nature Reviews Drug Discovery

Volumn 3, Issue 11, 2004, Pages 935-949

  Kitchen, Douglas B ^a   Decornez, Hélène ^a   Furr, John R ^a   Bajorath, Jürgen ^b,c  

^a ALBANY MOLECULAR RESEARCH INC   (United States)

^b ALBANY MOLECULAR RESEARCH INC   (United States)

^c UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DOCKING PROTEIN; IBUPROFEN; PROSTAGLANDIN SYNTHASE INHIBITOR;

COMPUTER PROGRAM; COMPUTER SIMULATION; CONTROLLED STUDY; DRUG PROTEIN BINDING; DRUG SCREENING; DRUG STRUCTURE; GENETIC ALGORITHM; INTERMETHOD COMPARISON; MOLECULAR DYNAMICS; MONTE CARLO METHOD; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE; RETROSPECTIVE STUDY; REVIEW; SCORING SYSTEM; VIRTUAL REALITY;

BINDING SITES; COMPUTATIONAL BIOLOGY; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 8844263008     PISSN: 14741776     EISSN: None     Source Type: Journal    
DOI: 10.1038/nrd1549     Document Type: Review

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