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Importance of modelling hERG binding in predicting drug-induced action potential prolongations for drug safety assessment Journal article
Farm,Hui Jia, Clerx,Michael, Cooper,Fergus, Polonchuk,Liudmila, Wang,Ken, Gavaghan,David J., Lei,Chon Lok. Importance of modelling hERG binding in predicting drug-induced action potential prolongations for drug safety assessment[J]. Frontiers in Pharmacology, 2023, 14, 1110555.
Authors:  Farm,Hui Jia;  Clerx,Michael;  Cooper,Fergus;  Polonchuk,Liudmila;  Wang,Ken; et al.
Favorite | TC[WOS]:2 TC[Scopus]:2  IF:4.4/5.0 | Submit date：2023/08/03
Drug Binding  Drug Trapping  Ic50 (50% Inhibition Concentration)  Mathematical Modelling  Herg Channel  Action Potential Predictions  
The development of small-molecule inhibitors targeting hexokinase 2 Journal article
Shen Wenying, Zhou Yan, TAM KIN YIP. The development of small-molecule inhibitors targeting hexokinase 2[J]. Drug Discovery Today, 2022, 27(9), 2574-2585.
Authors:  Shen Wenying;  Zhou Yan;  TAM KIN YIP
Adobe PDF | Favorite | TC[WOS]:22 TC[Scopus]:20  IF:6.5/7.3 | Submit date：2024/08/29
Cancer Metabolism  Hexokinase 2  Drug–target Binding  Selective Inhibition  Structure-based Molecular Design  
A polyphenol-assisted IL-10 mRNA delivery system for ulcerative colitis Journal article
Chen, Zhejie, Hao, Wei, Gao, Caifang, Zhou, Yangyang, Zhang, Chen, Zhang, Jinming, Wang, Ruibing, Wang, Yitao, Wang, Shengpeng. A polyphenol-assisted IL-10 mRNA delivery system for ulcerative colitis[J]. Acta Pharmaceutica Sinica B, 2022, 12(8), 3367-3382.
Authors:  Chen, Zhejie;  Hao, Wei;  Gao, Caifang;  Zhou, Yangyang;  Zhang, Chen; et al.
Favorite | TC[WOS]:26 TC[Scopus]:27  IF:14.7/14.1 | Submit date：2022/08/22
Polyphenol  Mrna  Il-10  Colitis  Inflammatory Bowel Disease  Drug Delivery  Mrna Delivery  Supramolecular Binding  
The development of small-molecule inhibitors targeting hexokinase 2 Review article
2022
Authors:  Shan, Wenying;  Zhou, Yan;  Tam, Kin Yip
Favorite | TC[WOS]:22 TC[Scopus]:20  IF:6.5/7.3 | Submit date：2022/08/05
Cancer Metabolism  Hexokinase 2  Drug–target Binding  Selective Inhibition  Structure-based Molecular Design  
LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds Journal article
Shaikh, Faraz, Tai, Hio Kuan, Desai, Nirali, Siu, Shirley W.I.. LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds[J]. Journal of Cheminformatics, 2021, 13(1), 44.
Authors:  Shaikh, Faraz;  Tai, Hio Kuan;  Desai, Nirali;  Siu, Shirley W.I.
Favorite | TC[WOS]:15 TC[Scopus]:16  IF:7.1/9.3 | Submit date：2021/12/09
Binding Affinity Prediction  Binding Interaction Fingerprint  Drug Repurposing  Fingerprint Similarity  Inverse Docking  Psovina  Random Forest  Target Prediction  
Comparison of Cutoff Strategies for Geometrical Features in Machine Learning-Based Scoring Functions Conference paper
Shirley W.I. Siu, Thomas K.F. Wong, Simon Fong. Comparison of Cutoff Strategies for Geometrical Features in Machine Learning-Based Scoring Functions[C]:Springer, Berlin, Heidelberg, 2013, 336-347.
Authors:  Shirley W.I. Siu;  Thomas K.F. Wong;  Simon Fong
Favorite | TC[Scopus]:0 | Submit date：2019/02/13
Scoring Function  Protein-ligand Binding Affinity  Geometrical Features  Machine Learning  Structure-based Drug Design  
DiSSiMil: Diverse Small Size Mini-Libraries applied to simple and rapid epitope mapping of a monoclonal antibody Journal article
Burgess K., Han I., Zhang A., Zheng W.-H., Saragovi H.U., Shanmugam K., Featherstone M.S.. DiSSiMil: Diverse Small Size Mini-Libraries applied to simple and rapid epitope mapping of a monoclonal antibody[J]. Journal of Peptide Research, 2001, 57(1), 68-76.
Authors:  Burgess K.;  Han I.;  Zhang A.;  Zheng W.-H.;  Saragovi H.U.; et al.
Favorite | TC[WOS]:3 TC[Scopus]:3 | Submit date：2018/12/21
Binding  Drug Discovery  Epitope Mapping  Peptide Library