Binding energy analysis for wild-type and Y181C mutant HIV-1 RT/8-Cl TIBO complex structures: Quantum chemical calculations based on the ONIOM method

Proteins: Structure, Function and Genetics

Volumn 61, Issue 4, 2005, Pages 859-869

  Saen Oon, Suwipa ^a,b,c   Kuno, Hayuso ^a,d   Hannongbua, Supa ^a  

^a KASETSART UNIVERSITY   (Thailand)

^b CHULALONGKORN UNIVERSITY   (Thailand)

^c EMORY UNIVERSITY   (United States)

^d SRINAKHARINWIROT UNIVERSITY   (Thailand)

Author keywords

Binding energy; HIV 1 RT; Inhibitor enzyme interaction; Mutant enzyme; NNRTIs; ONIOM

Indexed keywords

4,5,6,7 TETRAHYDROIMIDAZO 8 CHLORO 5 METHYL (3 METHYL 2 BUTENYL)IMIDAZO; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; UNCLASSIFIED DRUG;

ANALYTIC METHOD; ARTICLE; BINDING AFFINITY; CALCULATION; COMPARATIVE STUDY; COMPLEX FORMATION; DRUG BINDING SITE; DRUG PROTEIN BINDING; ENERGY; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR STABILITY; MUTATION; NONHUMAN; PRIORITY JOURNAL; QUANTUM CHEMISTRY; WILD TYPE;

AMINO ACID SUBSTITUTION; DIMERIZATION; HIV-1; KINETICS; MODELS, MOLECULAR; POLYMORPHISM, SINGLE NUCLEOTIDE; PROTEIN STRUCTURE, SECONDARY; PROTEIN SUBUNITS; QUANTUM THEORY; RECOMBINANT PROTEINS; REVERSE TRANSCRIPTASE INHIBITORS; RNA-DIRECTED DNA POLYMERASE; THERMODYNAMICS;

HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 28644442414     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20690     Document Type: Article

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