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Experimental characterization and molecular dynamic simulation of ketoprofen-cyclodextrin complexes Journal article
Qianqian Zhao, Haoshi Gao, Yan Su, Tianhe Huang, Jiahong Lu, Hua Yu, Defang Ouyang. Experimental characterization and molecular dynamic simulation of ketoprofen-cyclodextrin complexes[J]. CHEMICAL PHYSICS LETTERS, 2019, 736, 136802.
Authors:  Qianqian Zhao;  Haoshi Gao;  Yan Su;  Tianhe Huang;  Jiahong Lu; et al.
Favorite | TC[WOS]:15 TC[Scopus]:18  IF:2.8/2.4 | 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
Zhao,Qianqian, Ye,Zhuyifan, Su,Yan, Ouyang,Defang. Predicting complexation performance between cyclodextrins and guest molecules by integrated machine learning and molecular modeling techniques[J]. Acta Pharmaceutica Sinica B, 2019, 9(6), 1241-1252.
Authors:  Zhao,Qianqian;  Ye,Zhuyifan;  Su,Yan;  Ouyang,Defang
Favorite | TC[WOS]:60 TC[Scopus]:66  IF:14.7/14.1 | Submit date：2021/03/02
Binding Free Energy  Cyclodextrin  Deep Learning  Ketoprofen  Lightgbm  Machine Learning  Molecular Modeling  Random Forest  
Investigation of molecular dissolution mechanism of ketoprofen binary and ternary solid dispersions by molecular dynamics simulations Journal article
Chen W., Ouyang D.. Investigation of molecular dissolution mechanism of ketoprofen binary and ternary solid dispersions by molecular dynamics simulations[J]. Molecular Simulation, 2017, 43(13-16), 1074-1080.
Authors:  Chen W.;  Ouyang D.
Favorite | TC[WOS]:10 TC[Scopus]:12 | Submit date：2019/01/15
Dissolution Mechanism  Ketoprofen  Molecular Dynamics  Solid Dispersion  Surfactant