Prediction of HIV-1 Protease/Inhibitor Affinity using RosettaLigand

Chemical Biology and Drug Design

Volumn 79, Issue 6, 2012, Pages 888-896

  Lemmon, Gordon ^a   Kaufmann, Kristian ^a   Meiler, Jens ^a  

^a VANDERBILT UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

Binding; Docking; Energy; Ensemble; Flexible; Ligand; Model; Predict; Rigid; Rosetta

Indexed keywords

HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; LIGAND; N ACETYLPEPSTATIN;

ARTICLE; BINDING AFFINITY; BINDING SITE; COMPLEX FORMATION; CONTROLLED STUDY; DRUG BINDING; DRUG CONFORMATION; ENERGY; ENZYME INHIBITION; FREE ENERGY; GENE MUTATION; HUMAN IMMUNODEFICIENCY VIRUS 1; HYPOTHESIS; MOLECULAR DOCKING; NONHUMAN; PREDICTION; PRIORITY JOURNAL; VIRUS RESISTANCE; VIRUS STRAIN;

COMPUTER SIMULATION; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; HUMANS; LIGANDS; MUTATION; PROTEIN BINDING; THERMODYNAMICS;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 84860432843     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2012.01356.x     Document Type: Article

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