Modified solvent accessibility free energy prediction analysis of cyclic urea inhibitors binding to the HIV-1 protease

Protein Engineering

Volumn 15, Issue 9, 2002, Pages 707-711

  Sussman, Fredy ^a   Villaverde, M Carmen ^a   Martínez, Luis ^a  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

Binding driving forces; Binding free energy prediction; Cyclic urea inhibitors; Electrostatic interactions; HIV 1 protease

Indexed keywords

4,7 DIBENZYL 2,3,4,5,6,7 HEXAHYDRO 5,6 DIHYDROXY 1,3 BIS[4 (HYDROXYMETHYL)BENZYL] 2H 1,3 DIAZEPIN 2 ONE; AH 1; GENE PRODUCT; MOZENAVIR; PROTEINASE; PROTEINASE INHIBITOR; Q 8467; SD 146; SOLVENT; UNCLASSIFIED DRUG; UREA DERIVATIVE; VIRUS PROTEIN; XK 216; XK 263; XV 638; DRUG DERIVATIVE; UREA;

ANALYTIC METHOD; ARTICLE; BINDING AFFINITY; DRUG TARGETING; ELECTRICITY; ENERGY; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; HYDROPHOBICITY; OUTCOMES RESEARCH; PREDICTION; PRIORITY JOURNAL; PROTEIN BINDING; SOLVENT ACCESSIBILITY FREE ENERGY PREDICTION ANALYSIS; VALIDATION PROCESS; VIRUS REPLICATION; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS INFECTION; METABOLISM; PROTEIN ENGINEERING; THERMODYNAMICS;

HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS 1; RNA VIRUSES;

BINDING SITES; ELECTROSTATICS; HIV INFECTIONS; HIV PROTEASE; HIV PROTEASE INHIBITORS; HUMANS; MODELS, MOLECULAR; PROTEIN ENGINEERING; SOLVENTS; THERMODYNAMICS; UREA;

EID: 0036763206     PISSN: 02692139     EISSN: None     Source Type: Journal    
DOI: 10.1093/protein/15.9.707     Document Type: Article

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