Interactions between pyrazole derived enantiomers and Chiralcel OJ: Prediction of enantiomer absolute configurations and elution order by molecular dynamics simulations

Journal of Molecular Graphics and Modelling - Tập 66 - Trang 123-132 - 2016
Guixiang Hu1, Meilan Huang2, Chengcai Luo1, Qi Wang3, Jian-Wei Zou1
1School of Biotechnology and Chemical Engineering, Ningbo Institute of Technology, Zhejiang University, Ningbo 315100, China
2School of Chemistry and Chemical Engineering, Queen’s University Belfast, David Keir Building, Stranmillis Road, Belfast BT9 5AG, UK
3Minsheng Group Shaoxing Pharmaceutical Co., Ltd., Shaoxing 312071, China

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