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   Theoretical assessment of chiral recognition of Whelk-O1 for chiral compounds  
   
نویسنده cao y. ,wang x. ,yao s. ,cheng q. ,song h.
منبع journal of the chemical society of pakistan - 2012 - دوره : 34 - شماره : 1 - صفحه:102 -106
چکیده    In order to perform a qualitative analysis of chiral separation and explore the separation mechanism,the docking method was used to study the intermolecular interactions between the whelk-o1 hplc chiral stationary phase and the given enantiomers. thirteen typical chiral analytes were selected and docked with whelk-o1 using autodock 4.0 and the simulation results were in accordance with the three-point interaction theory. by comparison with the experimental results,the method was showed to be a feasible and efficient way to predict the elution order of the enantiomers of chiral compounds.
آدرس department of pharmaceutical and biological engineering,sichuan university, China, school of life science and technology,university of electronic science and technology of china,chengdu,china,department of chemistry,bryn mawr college,101 n merion ave.,bryn mawr, United States, department of pharmaceutical and biological engineering,sichuan university, China, department of pharmaceutical and biological engineering,sichuan university, China, department of pharmaceutical and biological engineering,sichuan university, China
 
     
   
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