Exploring the energy landscapes of molecular recognition by a genetic algorithm: Analysis of the requirements for robust docking of HIV-1 protease and FKBP-12 complexes

Proteins: Structure, Function and Genetics

Volumn 25, Issue 3, 1996, Pages 342-353

  Verkhivker, Gennady M ^a   Rejto, Paul A ^a   Gehlhaar, Daniel K ^a   Freer, Stephan T ^a  

^a AGOURON PHARMACEUTICALS INC   (United States)

Author keywords

binding landscapes; docking funnels; ligand protein recognition; stochastic search; structure based drug design

Indexed keywords

AG 1284; BINDING PROTEIN; HYDROGEN; LIGAND; PROTEINASE; RAPAMYCIN; SAQUINAVIR; TACROLIMUS; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; CRYSTAL STRUCTURE; DRUG DESIGN; ENERGY; HYDROGEN BOND; MODEL; MOLECULAR RECOGNITION; PREDICTION; PRIORITY JOURNAL; PROTEIN INTERACTION; SIMULATION;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 0030055657     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(199607)25:3<342::AID-PROT6>3.3.CO;2-3     Document Type: Article

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