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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.
Favorite  |  View/Download:7/0  |  Submit date:2019/04/04
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.
Favorite  |  View/Download:17/0  |  Submit date:2019/04/04
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.
Favorite  |  View/Download:4/0  |  Submit date:2019/04/04
Autodock vina  Conformational search  Cuckoo search  CuckooVina  Differential evolution  Metaheuristic  Optimization  PSOvina  Structure-based drug design  
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.
Favorite  |  View/Download:3/0  |  Submit date:2019/04/04
C5aR  Homology modeling  MM-GBSA  Molecular docking  Natural compound inhibitor  Virtual screening  
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:3/0  |  Submit date:2018/10/31
Optimization of the OPLS-AA force field for long hydrocarbons Journal article
Journal of Chemical Theory and Computation, 2012,Volume: 8,Issue: 4,Page: 1459
Authors:  Siu S.W.I.;  Pluhackova K.;  Böckmann R.A.
Favorite  |  View/Download:9/0  |  Submit date:2018/10/30