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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  
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]:14 TC[Scopus]:17 | Submit date:2021/03/02
Binding Free Energy  Cyclodextrin  Deep Learning  Ketoprofen  Lightgbm  Machine Learning  Molecular Modeling  Random Forest  
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]:4 TC[Scopus]:4 | Submit date:2021/03/02
Aggregation  Cyclodextrin  Glipizide  Molecular Mechanism  Molecular Modeling  
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