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Journal of Computer-Aided Molecular Design

Volumn 15, Issue 11, 2001, Pages 997-1004

Conformational analysis of nevirapine, a non-nucleoside HIV-1 reverse transcriptase inhibitor, based on quantum mechanical calculations

(3) Hannongbua, Supa a Prasithichokekul, Sirikanok a Pungpo, Pornpan a

a KASETSART UNIVERSITY (Thailand)

Author keywords

Conformational analysis; Density functional theory; Nevirapine; NMR spectra; Non nucleoside reverse transcriptase inhibitor; Quantum chemical calculations

Indexed keywords

BIOMOLECULES; CALCULATIONS; CHEMICAL ANALYSIS; CHEMICAL SHIFT; CONFORMATIONS; GEOMETRY; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; QUANTUM THEORY;

B3LYP/6-31G; CONFORMATIONAL ANALYSIS; DENSITY-FUNCTIONAL-THEORY; HIV-1 REVERSE TRANSCRIPTASE; NEVIRAPINE; NMR SPECTRUM; NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-CHEMICAL CALCULATION; QUANTUM-MECHANICAL CALCULATION;

DENSITY FUNCTIONAL THEORY;

CARBON; CYCLOPROPANE DERIVATIVE; NEVIRAPINE; NITROGEN; RNA DIRECTED DNA POLYMERASE INHIBITOR;

ARTICLE; CALCULATION; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL BOND; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DRUG CONFORMATION; GEOMETRY; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULE; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM MECHANICS; STRUCTURE ANALYSIS;

EID: 0035732843 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1014881723431 Document Type: Article

Times cited : (18)

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