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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  |  View/Download:6/0  |  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  |  View/Download:17/0  |  Submit date:2018/10/30
Solid dispersion  Molecular modeling  Dissolution process  Ibuprofen  
Computational redesign of human respiratory syncytial virus epitope as therapeutic peptide vaccines against pediatric pneumonia Journal article
Journal of Molecular Modeling, 2018,Volume: 24,Issue: 4
Authors:  Shi X.;  Zheng J.;  Yan T.
Favorite  |  View/Download:2/0  |  Submit date:2019/01/16
Fusion glycoprotein epitope  Pediatric pneumonia  Rational peptide vaccine design  Respiratory syncytial virus  
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(4697Kb)  |  Favorite  |  View/Download:372/34  |  Submit date:2018/10/30
Lutein  Cyclodextrin  Multiple-component System  Molecular Dynamics Simulation  Bioavailability  Computer-aided Formulation Design  
Comparison of Biomolecular Force Fields for Alkanethiol Self-Assembled Monolayer Simulations Journal article
JOURNAL OF PHYSICAL CHEMISTRY C, 2017,Volume: 121,Issue: 47,Page: 26340-26349
Authors:  Bhadra, Pratiti;  Siu, Shirley W. I.
Favorite  |  View/Download:4/0  |  Submit date:2018/10/30
Influence of Ionic Strength on the Deposition of Metal-Phenolic Networks Journal article
Langmuir, 2017,Volume: 33,Issue: 40,Page: 10616-10622
Authors:  Guo J.;  Richardson J.J.;  Besford Q.A.;  Christofferson A.J.;  Dai Y.;  Ong C.W.;  Tardy B.L.;  Liang K.;  Choi G.H.;  Cui J.;  Yoo P.J.;  Yarovsky I.;  Caruso F.
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Drug-loaded pH-responsive polymeric micelles: Simulations and experiments of micelle formation, drug loading and drug release Journal article
COLLOIDS AND SURFACES B-BIOINTERFACES, 2017,Volume: 158,Page: 709-716
Authors:  Li, Qiu;  Yao, Weishang;  Yu, Xiang;  Zhang, Baolei;  Dong, Junxing;  Jin, Yiguang
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Block copolymer  Computer simulation  pH-responsive  Polymeric micelles  Paclitaxel  Molecular dynamics  Coarse grain  Dissipative particle dynamics  
Toward the Total Synthesis of Eurifoloid A Journal article
ORGANIC LETTERS, 2017,Volume: 19,Issue: 10,Page: 2742-2745
Authors:  Liu, Xin;  Liu, Junyang;  Zhao, Jing;  Li, Shaoping;  Li, Chuang-Chuang
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Investigation of molecular dissolution mechanism of ketoprofen binary and ternary solid dispersions by molecular dynamics simulations Journal article
Molecular Simulation, 2017,Volume: 43,Issue: 13-16,Page: 1074-1080
Authors:  Chen W.;  Ouyang D.
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Dissolution mechanism  Ketoprofen  Molecular dynamics  Solid dispersion  Surfactant  
Insights into the structural perturbations of spliced variants of CD44: a modeling and simulation approach Journal article
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2017,Volume: 35,Issue: 2,Page: 354-367
Authors:  Patel, Shanaya;  Shaikh, Faraz;  Devaraji, Vinod;  Radadiya, Ashish;  Shah, Kanisha;  Shah, Anamik;  Rawal, Rakesh
Favorite  |  View/Download:12/0  |  Submit date:2018/10/30
CD44  hyaluronan  molecular docking  molecular dynamic simulation  structural perturbations and tumorigenesis