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In situ pepsin-assisted needle assembly of magnetic-graphitic-nanocapsules for enhanced gastric retention and mucus penetration Journal article
Nano Today, 2021,Volume: 36
Authors:  Cai,Xinqi;  Xu,Yiting;  Zhao,Lina;  Xu,Jiamei;  Li,Shengkai;  Wen,Chaoqi;  Xia,Xin;  Dong,Qian;  Hu,Xiaoxiao;  Wang,Xiaofeng;  Chen,Long;  Chen,Zhuo;  Tan,Weihong
Favorite |  | TC[WOS]:1 TC[Scopus]:2 | Submit date:2021/03/09
Gastric retention  Harsh gastric environment  Magnetic-graphitic-nanocapsule needle  Mucus penetration  Pepsin-assisted assembly  
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]:0 TC[Scopus]:1 | Submit date:2021/03/02
Dissolution Profile  Machine Learning  Molecular Dynamics (Md) Simulations  Pharmacokinetic Modeling  Solid Dispersion  
Coupling effects in electromechanical ion transport in graphene nanochannels Journal article
Physical Review E, 2020,Volume: 102,Issue: 3
Authors:  Jin,Yakang;  Ng,Tiniao;  Tao,Ran;  Luo,Shuang;  Su,Yan;  Li,Zhigang
Favorite |  | TC[WOS]:2 TC[Scopus]:3 | Submit date:2021/03/11
How imidazolium-based ionic liquids solubilize the poorly soluble ibuprofen? A theoretical study Journal article
AIChE Journal, 2020,Volume: 66,Issue: 5
Authors:  Huang,Yiping;  Ji,Yuanhui;  Zhang,Mao;  Ouyang,Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/03/02
Hydrogen Bond  Ibuprofen  Imidazolium Ionic Liquids  Molecular Dynamics Simulation  Solvation Mechanism  Van Der Waals Force  
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]:6 | Submit date:2021/03/02
Hydrogen Bonds  Ibuprofen  Interactions  Molecular Dynamics Simulations  Solvents  
In Vitro and MD Simulation Study to Explore Physicochemical Parameters for Antibacterial Peptide to Become Potent Anticancer Peptide Journal article
Molecular Therapy - Oncolytics, 2020,Volume: 16,Page: 7-19
Authors:  Ma,Rui;  Wong,Sin Wa;  Ge,Lilin;  Shaw,Chris;  Siu,Shirley W.I.;  Kwok,Hang Fai
Favorite |  | TC[WOS]:11 TC[Scopus]:11 | Submit date:2021/03/04
angiogenesis  anticancer peptides  antimicrobial peptides  apoptosis  drug discovery and development  molecular dynamics  targeted therapy  
Theoretical calculations, molecular dynamics simulations and experimental investigation of the adsorption of cadmium(ii) on amidoxime-chelating cellulose Journal article
JOURNAL OF MATERIALS CHEMISTRY A, 2019,Volume: 7,Issue: 22,Page: 13714-13726
Authors:  Liuchun Zheng;  Shiping Zhang;  Wen Cheng;  Lijuan Zhang;  Peipei Meng;  Tao Zhang;  Huajian Yu;  Dan Peng
Favorite |  | TC[WOS]:15 TC[Scopus]:14 | Submit date:2020/03/10
Elucidation of heterogeneous graphene nucleation and growth through Cu surface engineering Journal article
CARBON, 2019,Volume: 147,Page: 120-125
Authors:  Tao Liang;  Mohammad Rezwan Habib;  Yuhan Kong;  Yu Cai;  Hongzheng Chen;  Daisuke Fujita;  Cheng-Te Lin;  Yingchun Liu;  Cui Yu;  Huanxing Su;  Zhihong Feng;  Mingsheng Xu
Favorite |  | TC[WOS]:3 TC[Scopus]:3 | Submit date:2020/04/20
Notch strengthening in nanoscale metallic glasses Journal article
Acta Materialia, 2019,Volume: 169,Page: 147-154
Authors:  Sha Z.;  Teng Y.;  Poh L.H.;  Pei Q.;  Xing G.;  Gao H.
Favorite |  | TC[WOS]:14 TC[Scopus]:15 | Submit date:2019/04/08
Metallic Glasses  Molecular Dynamics Simulation  Notch Strengthening  Symmetric Notches  
Investigating the molecular dissolution process of binary solid dispersions by molecular dynamics simulations Journal article
ASIAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2018,Volume: 13,Issue: 3,Page: 248-254
Authors:  Chan, TengIan;  Ouyang, Defang
Favorite |  | TC[WOS]:13 TC[Scopus]:14 | Submit date:2018/10/30
Solid Dispersion  Molecular Modeling  Dissolution Process  Ibuprofen