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Theoretical assessment of chiral recognition of Whelk-O1 for chiral compounds
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نویسنده
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cao y. ,wang x. ,yao s. ,cheng q. ,song h.
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منبع
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journal of the chemical society of pakistan - 2012 - دوره : 34 - شماره : 1 - صفحه:102 -106
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چکیده
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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.
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آدرس
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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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Authors
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