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Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library Journal article
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.. Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library[J]. Journal of Medicinal Chemistry, 2019, 62(6), 2928-2937.
Authors:  Shaikh F.;  Zhao Y.;  Alvarez L.;  Iliopoulou M.;  Lohans C.; et al.
Favorite | TC[WOS]:32 TC[Scopus]:36 | Submit date：2019/04/04
A hybrid cuckoo search and differential evolution approach to protein–ligand docking Journal article
Lin H., Siu S.W.I.. A hybrid cuckoo search and differential evolution approach to protein–ligand docking[J]. International Journal of Molecular Sciences, 2018, 19(10).
Authors:  Lin H.;  Siu S.W.I.
Favorite | TC[WOS]:11 TC[Scopus]:13 | 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
Tai H.K., Lin H., Siu S.W.I.. Improving the efficiency of PSOVina for protein-ligand docking by two-stage local search[C], 2016, 770-777.
Authors:  Tai H.K.;  Lin H.;  Siu S.W.I.
Favorite | TC[WOS]:7 TC[Scopus]:7 | Submit date：2019/04/04
Bfgs  Local Search  Optimization  Protein-ligand Docking  Pso  Psovina  
Identification of novel natural compound inhibitors for human complement component 5a receptor by homology modeling and virtual screening Journal article
Shaikh F., Siu S.W.I.. Identification of novel natural compound inhibitors for human complement component 5a receptor by homology modeling and virtual screening[J]. Medicinal Chemistry Research, 2016, 25(8), 1564-1573.
Authors:  Shaikh F.;  Siu S.W.I.
Favorite | TC[WOS]:15 TC[Scopus]:17 | 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
Wang R., Zhou H., Siu S.W.I., Gan Y., Wang Y., Ouyang D.. Comparison of three molecular simulation approaches for cyclodextrin-ibuprofen complexation[J]. Journal of Nanomaterials, 2015, 2015.
Authors:  Wang R.;  Zhou H.;  Siu S.W.I.;  Gan Y.;  Wang Y.; et al.
Favorite | TC[WOS]:20 TC[Scopus]:30  IF:3.791/3.499 | Submit date：2018/10/31
Optimization of the OPLS-AA force field for long hydrocarbons Journal article
Siu S.W.I., Pluhackova K., Böckmann R.A.. Optimization of the OPLS-AA force field for long hydrocarbons[J]. Journal of Chemical Theory and Computation, 2012, 8(4), 1459.
Authors:  Siu S.W.I.;  Pluhackova K.;  Böckmann R.A.
Favorite | TC[WOS]:471 TC[Scopus]:495 | Submit date：2018/10/30