Monte Carlo calculations on HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor 8-Cl TIBO: Contribution of the L100I and Y181C variants to protein stability and biological activity

Protein Engineering

Volumn 13, Issue 6, 2000, Pages 413-421

  Kroeger Smith, Marilyn B ^a   Lamb, Michelle L ^b   Tirado Rives, Julian ^c   Jorgensen, William L ^c   Michejda, Christopher J ^a   Ruby, Sandra K ^d   Smith Jr , Richard H ^a,d  

^a NATIONAL CANCER INSTITUTE   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c YALE UNIVERSITY   (United States)

^d WESTERN MARYLAND COLLEGE   (United States)

Author keywords

HIV 1; Inhibitor; Modeling; Mutation; Reverse transcriptase

Indexed keywords

8 CHLOROTETRAHYDROIMIDAZO 1,4 BENZODIAZEPIN 2 THIONE; MUTANT PROTEIN; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CONTROLLED STUDY; ENERGY; HUMAN IMMUNODEFICIENCY VIRUS 1; LINEAR SYSTEM; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; PROTEIN FOLDING; PROTEIN STABILITY; SURFACE CHARGE; SYSTEM ANALYSIS;

AMINO ACID SUBSTITUTION; BENZODIAZEPINES; COMPUTER SIMULATION; DRUG DESIGN; DRUG RESISTANCE, MICROBIAL; ENZYME STABILITY; HIV; HIV-1 REVERSE TRANSCRIPTASE; IMIDAZOLES; MODELS, MOLECULAR; MONTE CARLO METHOD; MUTATION; PROTEIN BINDING; PROTEIN FOLDING; REVERSE TRANSCRIPTASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 0033948752     PISSN: 02692139     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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