Insight into the metabolism rate of quinone analogues from molecular dynamics simulation and 3D-QSMR methods

Chemical Biology and Drug Design

Volumn 70, Issue 4, 2007, Pages 290-301

  Chen, Hai Feng ^a   Wu, Mao Ying ^a   Wang, Zhuo ^a   Wei, Dong Qing ^a  

^a SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

Descriptors; Metabolism; Molecular dynamics simulation; Support Vector Machine; Three dimensional quantitative structure metabolism relationship model

Indexed keywords

INDOLE DERIVATIVE; OXIDOREDUCTASE; QUINONE DERIVATIVE; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE;

ARTICLE; HYDROPHILICITY; HYDROPHOBICITY; IN VITRO STUDY; IN VIVO STUDY; METABOLISM; MOLECULAR DYNAMICS; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; SUPPORT VECTOR MACHINE; THREE DIMENSIONAL IMAGING;

COMPUTER SIMULATION; HYDROGEN BONDING; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINONES; STATISTICS AS TOPIC;

EID: 35148840657     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2007.00561.x     Document Type: Article

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