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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  
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]:4 TC[Scopus]:6 | Submit date:2021/03/02
Dissolution Profile  Machine Learning  Molecular Dynamics (Md) Simulations  Pharmacokinetic Modeling  Solid Dispersion  
Functionalization enhancement interfacial bonding strength between graphene sheets and calcium silicate hydrate: Insights from molecular dynamics simulation Journal article
Construction and Building Materials, 2020,Volume: 261
Authors:  Wang, Pan;  Qiao, Gang;  Hou, Dongshuai;  Jin, Zuquan;  Wang, Muhan;  Zhang, Jinrui;  Sun, Guoxing
Favorite |  | TC[WOS]:3 TC[Scopus]:3 | Submit date:2021/09/17
Calcium Silicate Hydrate  Functionalized Graphene Sheets  Interfacial Bonding Properties  Molecular Dynamics Simulation  
Enhancement of oral bioavailability and anti-Parkinsonian efficacy of resveratrol through a nanocrystal formulation Journal article
Asian Journal of Pharmaceutical Sciences, 2020,Volume: 15,Issue: 4,Page: 518-528
Authors:  Xiong,Sha;  Liu,Wei;  Zhou,Yile;  Mo,Yousheng;  Liu,Yao;  Chen,Xiaojia;  Pan,Huafeng;  Yuan,Dongsheng;  Wang,Qi;  Chen,Tongkai
Favorite |  | TC[WOS]:8 TC[Scopus]:7 | Submit date:2021/03/02
Anti-parkinsonian Efficacy  Brain Permeability  Nanocrystals  Oral Absorption  Resveratrol  
Novel venom-based peptides (P13 and its derivative - M6) to maintain self-renewal of human embryonic stem cells by activating FGF and TGFβ signaling pathways Journal article
Stem Cell Research and Therapy, 2020,Volume: 11,Issue: 1
Authors:  Ma,Rui;  Ren,Zhili;  Li,Bin;  Siu,Shirley W.I.;  Chen,Guokai;  Kwok,Hang Fai
Favorite |  | TC[WOS]:1 TC[Scopus]:2 | Submit date:2021/03/04
Embryonic stem cell  Peptide modification  Pluripotency  Self-renewal  Venom peptide  
Predicting drug/phospholipid complexation by the lightGBM method Journal article
Chemical Physics Letters, 2020,Volume: 747
Authors:  Gao,Haoshi;  Ye,Zhuyifan;  Dong,Jie;  Gao,Hanlu;  Yu,Hua;  Li,Haifeng;  Ouyang,Defang
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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  
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]:14 TC[Scopus]:13 | Submit date:2021/03/04
angiogenesis  anticancer peptides  antimicrobial peptides  apoptosis  drug discovery and development  molecular dynamics  targeted therapy  
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]:11 TC[Scopus]:13 | Submit date:2021/03/02
BRCA1  BRCT  Molecular dynamics simulation  PCA  Unclassified variants  VUS  
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]:1 TC[Scopus]:2 | Submit date:2021/03/02
Molecular Dynamic Simulation  Pathogenic  Protein structure  Ramachandran plot  TP53  Variant of Uncertain Significance