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LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds Journal article
Journal of Cheminformatics, 2021,Volume: 13,Issue: 1
Authors:  Shaikh, Faraz;  Tai, Hio Kuan;  Desai, Nirali;  Siu, Shirley W.I.
Favorite |  | TC[WOS]:2 TC[Scopus]:2 | Submit date:2021/12/09
Binding Affinity Prediction  Binding Interaction Fingerprint  Drug Repurposing  Fingerprint Similarity  Inverse Docking  Psovina  Random Forest  Target Prediction  
Evaluating Variants of Firefly Algorithm for Ligand Pose Prediction in Protein-ligand Docking Program Conference paper
ICBBT 2020: Proceedings of the 2020 12th International Conference on Bioinformatics and Biomedical Technology, Xi'an, 22 May 2020 through 24 May 2020
Authors:  Ao, Meng Chi;  Siu, Shirley W.I.
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/12/06
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]:15 | 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  
Improving the efficiency of PSOVina for protein-ligand docking by two-stage local search Conference paper
2016 IEEE Congress on Evolutionary Computation, CEC 2016
Authors:  Tai H.K.;  Lin H.;  Siu S.W.I.
Favorite |  | TC[WOS]:0 TC[Scopus]:6 | Submit date:2019/04/04
BFGS  Local search  Optimization  Protein-ligand docking  PSO  PSOVina  
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]:41 TC[Scopus]:49 | Submit date:2019/02/13
Particle Swarm Optimization  Protein-ligand Docking  Flexible Docking  Conformational Search  Autodock  Drug Design