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Experimental characterization and molecular dynamic simulation of ketoprofen-cyclodextrin complexes Journal article
CHEMICAL PHYSICS LETTERS, 2019,Volume: 736
Authors:  Qianqian Zhao;  Haoshi Gao;  Yan Su;  Tianhe Huang;  Jiahong Lu;  Hua Yu;  Defang Ouyang
Favorite |  | TC[WOS]:3 TC[Scopus]:2 | Submit date:2019/12/04
Ketoprofen  Cyclodextrin Complexation  Molecular Dynamic Simulation  Molecular Mechanism  Binary System  
Investigation of molecular aggregation mechanism of glipizide/cyclodextrin complexation by combined experimental and molecular modeling approaches Journal article
Asian Journal of Pharmaceutical Sciences, 2019,Volume: 14,Issue: 6,Page: 609-620
Authors:  Huang,Tianhe;  Zhao,Qianqian;  Su,Yan;  Ouyang,Defang
Favorite |  | TC[WOS]:3 TC[Scopus]:4 | Submit date:2021/03/02
Aggregation  Cyclodextrin  Glipizide  Molecular mechanism  Molecular modeling  
Predicting complexation performance between cyclodextrins and guest molecules by integrated machine learning and molecular modeling techniques Journal article
Acta Pharmaceutica Sinica B, 2019,Volume: 9,Issue: 6,Page: 1241-1252
Authors:  Zhao,Qianqian;  Ye,Zhuyifan;  Su,Yan;  Ouyang,Defang
Favorite |  | TC[WOS]:12 TC[Scopus]:15 | Submit date:2021/03/02
Binding free energy  Cyclodextrin  Deep learning  Ketoprofen  LightGBM  Machine learning  Molecular modeling  Random forest  
Computer-Aided Formulation Design for a Highly Soluble Lutein-Cyclodextrin Multiple-Component Delivery System Journal article
MOLECULAR PHARMACEUTICS, 2018,Volume: 15,Issue: 4,Page: 1664-1673
Authors:  Zhao, Qianqian;  Miriyala, Nikhila;  Su, Yan;  Chen, Weijie;  Gao, Xuejiao;  Shao, Ling;  Yan, Ru;  Li, Haifeng;  Yao, Xiaojun;  Cao, Dongsheng;  Wang, Yitao;  Ouyang, Defang
View | Adobe PDF | Favorite |  | TC[WOS]:18 TC[Scopus]:20 | Submit date:2018/10/30
Lutein  Cyclodextrin  Multiple-component System  Molecular Dynamics Simulation  Bioavailability  Computer-aided Formulation Design  
Comparison of three molecular simulation approaches for cyclodextrin-ibuprofen complexation Journal article
Journal of Nanomaterials, 2015,Volume: 2015
Authors:  Wang R.;  Zhou H.;  Siu S.W.I.;  Gan Y.;  Wang Y.;  Ouyang D.
Favorite |  | TC[WOS]:11 TC[Scopus]:16 | Submit date:2018/10/31