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Development of a Highly Water-Soluble Lycopene Cyclodextrin Ternary Formulation by the Integrated Experimental and Modeling Techniques Journal article
AAPS PharmSciTech, 2021,Volume: 22,Issue: 1
Authors:  Ma,Yan;  Zhong,Liuting;  Peng,Zhuo;  Liu,Xinyang;  Ouyang,Defang;  Guan,Shixia
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/03/02
bioavailability  hot-melt extrusion  lycopene  molecular dynamics simulation  ternary formulation  
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  
Combining Ramachandran plot and molecular dynamics simulation for structural-based variant classification: Using TP53 variants as model Journal article
Computational and Structural Biotechnology Journal, 2020,Volume: 18,Page: 4033-4039
Authors:  Tam,Benjamin;  Sinha,Siddharth;  Wang,San Ming
Favorite |  | TC[WOS]:0 TC[Scopus]:1 | Submit date:2021/03/02
Molecular Dynamic Simulation  Pathogenic  Protein structure  Ramachandran plot  TP53  Variant of Uncertain Significance  
Classification of VUS and unclassified variants in BRCA1 BRCT repeats by molecular dynamics simulation Journal article
Computational and Structural Biotechnology Journal, 2020,Volume: 18,Page: 723-736
Authors:  Sinha,Siddharth;  Wang,San Ming
Favorite |  | TC[WOS]:7 TC[Scopus]:9 | Submit date:2021/03/02
BRCA1  BRCT  Molecular dynamics simulation  PCA  Unclassified variants  VUS  
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  
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 molecular interactions of high-loaded glipizide-HPMCAS microparticles by integrated experimental and modeling techniques Journal article
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2019,Volume: 131,Page: 127-135
Authors:  Qiang Li;  Qianqian Zhao;  Qiufang Jing;  Xiaosi Ma;  Ning Chen;  Guobin Ren;  Defang Ouyang;  Fuzheng Ren
Favorite |  | TC[WOS]:6 TC[Scopus]:5 | Submit date:2020/03/25
Glipizide  Hydroxypropyl Methylcellulose Acetate  Succinate (Hpmcas)  Molecular Interaction  Molecular Dynamics Simulation  
Transdermal Cubic Phases of Metformin Hydrochloride: In Silico and in Vitro Studies of Delivery Mechanisms Journal article
MOLECULAR PHARMACEUTICS, 2018,Volume: 15,Issue: 8,Page: 3121-3132
Authors:  Yu, Xiang;  Jin, Yiguang;  Du, Lina;  Sun, Mengchi;  Wang, Jian;  Li, Qiu;  Zhang, Xiangyu;  Gao, Zisen;  Ding, Pingtian
Favorite |  | TC[WOS]:12 TC[Scopus]:12 | Submit date:2018/10/30
computational simulation  cubic phase  dissipative particle dynamics  metformin hydrochloride  molecular interaction  transdermal delivery  
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  
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
Favorite |  | TC[WOS]:19 TC[Scopus]:19 | Submit date:2018/10/30
Block copolymer  Computer simulation  pH-responsive  Polymeric micelles  Paclitaxel  Molecular dynamics  Coarse grain  Dissipative particle dynamics