Quantum mechanics-based properties for 3D-QSAR

Journal of Chemical Information and Modeling

Volumn 53, Issue 6, 2013, Pages 1486-1502

  El Kerdawy, Ahmed ^a   Güssregen, Stefan ^b   Matter, Hans ^b   Hennemann, Matthias ^a   Clark, Timothy ^a,c  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b SANOFI AVENTIS DEUTSCHLAND GMBH   (Germany)

^c UNIVERSITY OF PORTSMOUTH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COMPUTATIONAL CHEMISTRY; DRUG PRODUCTS; ENZYMES; HYDROGEN BONDS; LIGANDS; MOLECULAR GRAPHICS; MOLECULAR INTERACTIONS; MOLECULAR ORBITALS; MOLECULAR STRUCTURE; QUANTUM THEORY;

ACETYLCHOLINESTERASE INHIBITORS; ANGIOTENSIN CONVERTING ENZYME INHIBITOR (ACE); CYCLO-OXYGENASE-2 INHIBITOR; DIHYDROFOLATE REDUCTASE; HYDROGEN BOND ACCEPTORS; MOLECULAR INTERACTION FIELDS; SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS; STATISTICAL PERFORMANCE;

ORBITAL CALCULATIONS;

ENZYME INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; HYDROGEN BOND; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ELECTRONS; ENZYME INHIBITORS; HYDROGEN BONDING; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84879566082     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400181b     Document Type: Article

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