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An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design Journal article
European Journal of Pharmaceutics and Biopharmaceutics, 2021,Volume: 158,Page: 336-346
Authors:  Gao,Hanlu;  Wang,Wei;  Dong,Jie;  Ye,Zhuyifan;  Ouyang,Defang
Favorite |  | TC[WOS]:1 TC[Scopus]:5 | Submit date:2021/03/02
Dissolution Profile  Machine Learning  Molecular Dynamics (Md) Simulations  Pharmacokinetic Modeling  Solid Dispersion  
Solvation structure and molecular interactions of ibuprofen with ethanol and water: A theoretical study Journal article
Fluid Phase Equilibria, 2020,Volume: 510
Authors:  Zhang,Mao;  Huang,Yiping;  Hao,Dule;  Ji,Yuanhui;  Ouyang,Defang
Favorite |  | TC[WOS]:7 TC[Scopus]:7 | Submit date:2021/03/02
Hydrogen Bonds  Ibuprofen  Interactions  Molecular Dynamics Simulations  Solvents  
Hydrotalcite intercalated siRNA: Computational characterization of the interlayer environment Journal article
Pharmaceutics, 2012,Volume: 4,Issue: 2,Page: 296-313
Authors:  Zhang H.;  Ouyang D.;  Murthy V.;  Wong Y.;  Xu Z.;  Smith S.C.
Favorite |  | TC[WOS]:0 TC[Scopus]:6 | Submit date:2019/01/15
Gene therapy  Layered double hydroxide  Molecular dynamics simulations  SiRNA delivery