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Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library Journal article
Journal of Medicinal Chemistry, 2019,Volume: 62,Issue: 6,Page: 2928-2937
Authors:  Shaikh F.;  Zhao Y.;  Alvarez L.;  Iliopoulou M.;  Lohans C.;  Schofield C.J.;  Padilla-Parra S.;  Siu S.W.I.;  Fry E.E.;  Ren J.;  Stuart D.I.
Favorite  |  View/Download:1/0  |  Submit date:2019/04/04
An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction Journal article
Molecular Pharmaceutics, 2019,Volume: 16,Issue: 2,Page: 533-541
Authors:  Ye Z.;  Yang Y.;  Li X.;  Cao D.;  Ouyang D.
Favorite  |  View/Download:7/0  |  Submit date:2019/02/14
ADME  deep learning  multitask learning  pharmacokinetic parameters  transfer learning  
Plasma protein binding of dietary polyphenols to human serum albumin: A high performance affinity chromatography approach Conference paper
Authors:  Cao, Hui;  Liu, Xiaojuan;  Ulrih, Natasa Poklar;  Sengupta, Pradeep K.;  Xiao, Jianbo
Favorite  |  View/Download:16/0  |  Submit date:2018/10/30
Flavonoids  Structure-protein binding relationship  Protein binding rate  HSA  
Stereoselective interactions of lactic acid enantiomers with HSA: Spectroscopy and docking application Journal article
FOOD CHEMISTRY, 2019,Volume: 270,Page: 429-435
Authors:  Mu, Hongtao;  Chen, Shaohuan;  Liu, Fengyin;  Xiao, Jianbo;  Huang, Hui;  Zhang, Yuhua;  Sun, Yuanming;  Gao, Xiangyang;  Lei, Hongtao;  Yuan, Xuewen
Favorite  |  View/Download:25/0  |  Submit date:2018/10/30
Lactic acid isomers  Human serum albumin  Fluorescence spectroscopy  Circular dichroism  Docking simulation  
Plasma protein binding of dietary polyphenols to human serum albumin: A high performance affinity chromatography approach Journal article
Food Chemistry, 2019,Volume: 270,Page: 257-263
Authors:  Cao H.;  Liu X.;  Ulrih N.P.;  Sengupta P.K.;  Xiao J.
Favorite  |  View/Download:4/0  |  Submit date:2019/01/15
Flavonoids  HSA  Protein binding rate  Structure-protein binding relationship  
Combined treatment of sodium ferulate, n-butylidenephthalide, and ADSCs rehabilitates neurovascular unit in rats after photothrombotic stroke Journal article
Journal of Cellular and Molecular Medicine, 2019,Volume: 23,Issue: 1,Page: 126-142
Authors:  Zhao Y.-H.;  Liu N.-W.;  Ke C.-C.;  Liu B.-W.;  Chen Y.-A.;  Luo C.;  Zhang Q.;  Xia Z.-Y.;  Liu R.-S.
Favorite  |  View/Download:8/0  |  Submit date:2019/01/15
Adipose-derived Stromal Cells  N-butylidenephthalide  Neurovascular Unit  Rehabilitation  Sodium Ferulate  
Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening Journal article
JOURNAL OF CHEMINFORMATICS, 2018,Volume: 10
Authors:  Tai, Hio Kuan;  Jusoh, Siti Azma;  Siu, Shirley W. I.
Favorite  |  View/Download:5/0  |  Submit date:2019/01/17
Docking  Virtual screening  PSOVina  Autodock Vina  Chaotic maps  Singer map  Sinusoidal map  
Vibrio parahaemolyticus RhsP represents a widespread group of pro-effectors for type VI secretion systems Journal article
Nature Communications, 2018,Volume: 9,Issue: 1
Authors:  Jiang N.;  Tang L.;  Xie R.;  Li Z.;  Burkinshaw B.;  Liang X.;  Sosa D.;  Aravind L.;  Dong T.;  Zhang D.;  Zheng J.
Favorite  |  View/Download:0/0  |  Submit date:2019/01/16
G-Quadruplex-Based Nanoscale Coordination Polymers to Modulate Tumor Hypoxia and Achieve Nuclear-Targeted Drug Delivery for Enhanced Photodynamic Therapy Journal article
Nano Letters, 2018,Volume: 18,Issue: 11,Page: 6867-6875
Authors:  Yang Y.;  Zhu W.;  Feng L.;  Chao Y.;  Yi X.;  Dong Z.;  Yang K.;  Tan W.;  Liu Z.;  Chen M.
Favorite  |  View/Download:2/0  |  Submit date:2018/12/27
DNA nanostructure  G-quadruplex  Nanoscale coordination-polymers  NCPs  photodynamic therapy  tumor hypoxia  
A hybrid cuckoo search and differential evolution approach to protein–ligand docking Journal article
International Journal of Molecular Sciences, 2018,Volume: 19,Issue: 10
Authors:  Lin H.;  Siu S.W.I.
Favorite  |  View/Download:1/0  |  Submit date:2019/04/04
Autodock vina  Conformational search  Cuckoo search  CuckooVina  Differential evolution  Metaheuristic  Optimization  PSOvina  Structure-based drug design