New mathematic model for predicting chiral separation using molecular docking: Mechanism of chiral recognition of triadimenol analogues

Journal of Separation Science

Volumn 32, Issue 14, 2009, Pages 2401-2407

  Zhang, Guoqing ^a   Sun, Qingyan ^a   Hou, Ying ^a   Hong, Zhanying ^a   Zhang, Jun ^a   Zhao, Liang ^a   Zhang, Hai ^a   Chai, Yifeng ^a  

^a SECOND MILITARY MEDICAL UNIVERSITY   (China)

Author keywords

CE; Chiral recognition mechanism; Mathematic model; Molecular docking technique; Triadimenol

Indexed keywords

CE; CHIRAL RECOGNITION MECHANISM; MATHEMATIC MODEL; MOLECULAR DOCKING TECHNIQUE; TRIADIMENOL;

CHIRALITY; COLOR; DATA STORAGE EQUIPMENT; DOCKING; ENANTIOMERS; HYDROGEN; HYDROGEN BONDS; MOLECULAR MECHANICS; MOLECULAR MODELING; PHOSPHORIC ACID; SEPARATION; SODIUM;

MATHEMATICAL MODELS;

BETA CYCLODEXTRIN; CARBOXYMETHYL BETA CYCLODEXTRIN; PHOSPHORIC ACID; SODIUM DIHYDROGEN PHOSPHATE; TRIADIMENOL;

ARTICLE; CALCULATION; CAPILLARY ELECTROPHORESIS; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CHIRALITY; CONTROLLED STUDY; ELECTRICITY; ENANTIOMER; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SEPARATION TECHNIQUE;

COMPUTER SIMULATION; HYDROGEN BONDING; HYDROPHOBICITY; MODELS, CHEMICAL; MOLECULAR STRUCTURE; REPRODUCIBILITY OF RESULTS; STEREOISOMERISM; TRIAZOLES;

EID: 70349183961     PISSN: 16159306     EISSN: 16159314     Source Type: Journal    
DOI: 10.1002/jssc.200900012     Document Type: Article

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