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Predicting for anti-(mutant) SARS-CoV-2 and anti-inflammation compounds of Lianhua Qingwen Capsules in treating COVID-19 Journal article
Chinese Medicine, 2022,Volume: 17,Issue: 1
Authors:  Hong, Liang;  He, Min;  Li, Shaoping;  Zhao, Jing
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/08/02
Covid-19  Lianhua Qingwen Capsules (Lhqw)  Molecular Docking  Network Pharmacology  
Jiedu Huoxue Decoction for Cytokine Storm and Thrombosis in Severe COVID-19: A Combined Bioinformatics and Computational Chemistry Approach Journal article
Natural Product Communications, 2022,Volume: 17,Issue: 4
Authors:  Liu, Ying;  Yan, Han;  Jia, Hui Bin;  Pan, Li;  Liu, Jia Zheng;  Zhang, Ya Wen;  Wang, Jing;  Qin, Dao Gang;  Ma, Lei;  Wang, Ting
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2023/01/30
bioactivity  bioinformatics  computational chemistry  COVID-19  cytokine storm  Jiedu Huoxue Decoction  molecular dynamics simulation  thrombosis  
GWOVina: A grey wolf optimization approach to rigid and flexible receptor docking Journal article
Chemical Biology and Drug Design, 2021,Volume: 97,Issue: 1,Page: 97-110
Authors:  Wong, Kin Meng;  Tai, Hio Kuan;  Siu, Shirley W.I.
Favorite |  | TC[WOS]:8 TC[Scopus]:9 | Submit date:2021/12/07
Autodock Vina  Gwovina  Nature-inspired Algorithm  Protein–ligand Docking  Side-chain Flexibility  Structure-based Drug Design  Swarm Intelligence  
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 |  | TC[WOS]:13 TC[Scopus]:16 | Submit date:2019/01/17
Docking  Virtual Screening  Psovina  Autodock Vina  Chaotic Maps  Singer Map  Sinusoidal Map  
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 |  | TC[WOS]:7 TC[Scopus]:10 | Submit date:2019/04/04
Autodock Vina  Conformational Search  Cuckoo Search  Cuckoovina  Differential Evolution  Metaheuristic  Optimization  Psovina  Structure-based Drug Design  
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]:35 TC[Scopus]:40 | Submit date:2018/10/30
Lutein  Cyclodextrin  Multiple-component System  Molecular Dynamics Simulation  Bioavailability  Computer-aided Formulation Design  
Ligand-based virtual screening and inductive learning for identification of SIRT1 inhibitors in natural products Journal article
Scientific Reports, 2016,Volume: 6
Authors:  Sun Y.;  Zhou H.;  Zhu H.;  Leung S.-W.
Favorite |  | TC[WOS]:12 TC[Scopus]:17 | Submit date:2019/01/15
PSOVina: The hybrid particle swarm optimization algorithm for protein–ligand docking Conference paper
Journal of Bioinformatics and Computational Biology, Nanyang Technological University, Singapore, SINGAPORE, NOV 10-12, 2014
Authors:  Marcus C. K. Ng;  Simon Fong;  Shirley W. I. Siu
Favorite |  | TC[WOS]:42 TC[Scopus]:51 | Submit date:2019/02/13
Particle Swarm Optimization  Protein-ligand Docking  Flexible Docking  Conformational Search  Autodock  Drug Design  
Comparison of three molecular simulation approaches for cyclodextrin-ibuprofen complexation Journal article
Journal of Nanomaterials, 2015,Volume: 2015
Authors:  Wang R.;  Zhou H.;  Siu S.W.I.;  Gan Y.;  Wang Y.;  Ouyang D.
Favorite |  | TC[WOS]:17 TC[Scopus]:26 | Submit date:2018/10/31