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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.
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Novel neurotoxic peptides from Protopalythoa variabilis virtually interact with voltage-gated sodium channel and display anti-epilepsy and neuroprotective activities in zebrafish Journal article
Archives of Toxicology, 2019,Volume: 93,Issue: 1,Page: 189-206
Authors:  Liao Q.;  Li S.;  Siu S.W.I.;  Morlighem J.-E.R.L.;  Wong C.T.T.;  Wang X.;  Radis-Baptista G.;  Lee S.M.-Y.
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Anti-epilepsy  Disulfide bond  Neuroactive peptides  Neuroprotection  Protein docking  Voltage-gated sodium ion channel blocker  
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.
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Autodock vina  Conformational search  Cuckoo search  CuckooVina  Differential evolution  Metaheuristic  Optimization  PSOvina  Structure-based drug design  
A novel ShK-like toxic peptide fromthe transcriptome of the cnidarian Palythoa caribaeorum displays neuroprotection and cardioprotection in zebrafish Journal article
Toxins, 2018,Volume: 10,Issue: 6
Authors:  Liao Q.;  Gong G.;  Siu S.W.I.;  Wong C.T.T.;  Yu H.;  Tse Y.C.;  Radis-Baptista G.;  Lee S.M.-Y.
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Animal toxins  Calcium-activated K+ ion channel  Dynamics simulation  ShK-like peptide  Voltage-gated K+ ion channel  Zoantharian  
Adaptive incremental Genetic Algorithm for task scheduling in cloud environments Journal article
Symmetry, 2018,Volume: 10,Issue: 5
Authors:  Duan K.;  Fong S.;  Siu S.W.I.;  Song W.;  Guan S.S.
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Cloud computing  Genetic algorithm  Infrastructure as a Service  Task scheduling  
Exploring the behaviour of water nanodroplet on a coplanar electrowetting-ondielectric: A molecular dynamics approach Journal article
Micro and Nano Letters, 2017,Volume: 12,Issue: 7,Page: 486-489
Authors:  Chan H.K.;  Mak P.I.;  Siu S.W.I.
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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.
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BFGS  Local search  Optimization  Protein-ligand docking  PSO  PSOVina  
ProtPOS: A python package for the prediction of protein preferred orientation on a surface Journal article
Bioinformatics, 2016,Volume: 32,Issue: 16,Page: 2537-2538
Authors:  Ngai J.C.F.;  Mak P.-I.;  Siu S.W.I.
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Identification of novel natural compound inhibitors for human complement component 5a receptor by homology modeling and virtual screening Journal article
Medicinal Chemistry Research, 2016,Volume: 25,Issue: 8,Page: 1564-1573
Authors:  Shaikh F.;  Siu S.W.I.
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C5aR  Homology modeling  MM-GBSA  Molecular docking  Natural compound inhibitor  Virtual screening  
Predicting favorable protein docking poses on a solid surface by particle swarm optimization Conference paper
2015 IEEE Congress on Evolutionary Computation, CEC 2015 - Proceedings, Sendai, JAPAN, MAY 25-28, 2015
Authors:  Ngai J.C.F.;  Mak P.-I.;  Siu S.W.I.
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Hydrophobic Solid Surface  Lysozyme  Particle Swarm Optimization  Protein Adsorption  Ptfe