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Journal of Computer-Aided Molecular Design

Volumn 15, Issue 11, 2001, Pages 961-978

Molecular electrostatic potentials as input for the alignment of HIV-1 integrase inhibitors in 3D QSAR

(2) Makhija, Mihindra T a Kulkarni, Vithal M a

Author keywords

Comparative molecular similarity indices analysis; HIV 1 integrase; Molecular electrostatic potentials; Partial least squares

Indexed keywords

COMPUTATIONAL CHEMISTRY; DISEASES; ELECTROSTATICS; LEAST SQUARES APPROXIMATIONS; MOLECULAR GRAPHICS; VIRUSES;

3D-QSAR; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 INTEGRASE; INTEGRASE; MOLECULAR ELECTROSTATIC POTENTIALS; PARTIAL LEAST-SQUARES; PHYSICOCHEMICAL PROPERTY; PREDICTIVE ABILITIES; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR);

MOLECULES;

ANTIRETROVIRUS AGENT; BENZOIC HYDRAZIDE DERIVATIVE; COUMARIN DERIVATIVE; DIOXEPINONE DERIVATIVE; INTEGRASE INHIBITOR; QUINONE DERIVATIVE; SALICYLPYRAZOLINONE DERIVATIVE; THIAZEPINEDIONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CONTROLLED STUDY; DRUG CLASSIFICATION; DRUG STRUCTURE; ELECTRIC POTENTIAL; ENZYME INHIBITION; HUMAN IMMUNODEFICIENCY VIRUS 1; IN VITRO STUDY; MATHEMATICAL MODEL; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN PROCESSING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

EID: 0035730448 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1014888730876 Document Type: Article

Times cited : (30)

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