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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  
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  
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(4697Kb)  |  Favorite  |  View/Download:166/21  |  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  |  View/Download:1/0  |  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  |  View/Download:2/0  |  Submit date:2019/02/13
Autodock  Conformational Search  Drug Design  Flexible Docking  Particle Swarm Optimization  Protein-ligand Docking  
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  |  View/Download:2/0  |  Submit date:2018/10/31