Molecular modeling study of Leflunomide and its active metabolite analogues

Journal of Chemical Information and Modeling

Volumn 45, Issue 1, 2005, Pages 39-48

  Panek, Jarosław J ^a   Jezierska, Aneta ^a   Mierzwicki, Krzysztof ^a   Latajka, Zdzisław ^a   Koll, Aleksander ^a  

^a UNIVERSITY OF WROC AW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; CONFORMATIONS; ELECTRONIC STRUCTURE; ENZYMES; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; PROTONS; SYNTHESIS (CHEMICAL); TOPOLOGY;

ACTIVE METABOLITES; ATOMS IN MOLECULES (AIM) THEORY; ELECTRON LOCALIZATION FUNCTION (ELF); LEFLUNOMIDE;

METABOLITES;

ANILINE DERIVATIVE; ENZYME INHIBITOR; HYDROXYBUTYRIC ACID; ISOXAZOLE DERIVATIVE; LEFLUNOMIDE; TERIFLUNOMIDE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; COMPUTER SIMULATION; CONFORMATION; HYDROGEN BOND; THERMODYNAMICS;

ANILINE COMPOUNDS; COMPUTER SIMULATION; COMPUTER-AIDED DESIGN; ENZYME INHIBITORS; HYDROGEN BONDING; HYDROXYBUTYRATES; ISOXAZOLES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; THERMODYNAMICS;

EID: 13844307933     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci049754d     Document Type: Article

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