Protein Flexibility and Computer-Aided Drug Design

Annual Review of Pharmacology and Toxicology

Volumn 43, Issue , 2003, Pages 31-45

  Wong, Chung F ^a,b   McCammon, J Andrew ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b San Diego   (United States)

Author keywords

Dynamic pharmacophore; Free energy calculations; Molecular dynamics simulations; Relaxed complex method; Sensitivity analysis

Indexed keywords

PROTEIN;

BINDING AFFINITY; CALCULATION; COMPUTER AIDED DESIGN; COMPUTER SIMULATION; DRUG BINDING; DRUG DESIGN; DRUG STRUCTURE; ENERGY; MOLECULAR DYNAMICS; MOLECULAR MODEL; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN STRUCTURE; RELIABILITY; REVIEW; BIOLOGY; CHEMISTRY; METABOLISM; PLIABILITY; PROTEIN CONFORMATION;

COMPUTATIONAL BIOLOGY; COMPUTER-AIDED DESIGN; DRUG DESIGN; PLIABILITY; PROTEIN CONFORMATION; PROTEINS;

EID: 0042853244     PISSN: 03621642     EISSN: None     Source Type: Book Series    
DOI: 10.1146/annurev.pharmtox.43.100901.140216     Document Type: Review

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