Shirley W. I. Siu
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Optimization of the OPLS-AA force field for long hydrocarbons
SWI Siu, K Pluhackova, RA Böckmann
Journal of chemical theory and computation 8 (4), 1459-1470, 2012
Biomolecular simulations of membranes: physical properties from different force fields
SWI Siu, R Vácha, P Jungwirth, RA Böckmann
The Journal of chemical physics 128 (12), 03B620, 2008
Effects of alkali cations and halide anions on the DOPC lipid membrane
R Vácha, SWI Siu, M Petrov, RA Böckmann, J Barucha-Kraszewska, ...
The journal of physical chemistry A 113 (26), 7235-7243, 2009
DynaPred: a structure and sequence based method for the prediction of MHC class I binding peptide sequences and conformations
I Antes, SWI Siu, T Lengauer
Bioinformatics 22 (14), e16-e24, 2006
Electric field effects on membranes: gramicidin A as a test ground
SWI Siu, RA Böckmann
Journal of structural biology 157 (3), 545-556, 2007
AmPEP: Sequence-based prediction of antimicrobial peptides using distribution patterns of amino acid properties and random forest
P Bhadra, J Yan, J Li, S Fong, SWI Siu
Scientific reports 8 (1), 1-10, 2018
PSOVina: The hybrid particle swarm optimization algorithm for protein–ligand docking
MCK Ng, S Fong, SWI Siu
Journal of bioinformatics and computational biology 13 (03), 1541007, 2015
Membrane-proximal tryptophans of synaptobrevin II stabilize priming of secretory vesicles
M Borisovska, YN Schwarz, M Dhara, A Yarzagaray, S Hugo, D Narzi, ...
Journal of Neuroscience 32 (45), 15983-15997, 2012
Downhill binding energy surface of the barnase–barstar complex
L Wang, SWI Siu, W Gu, V Helms
Biopolymers 93 (11), 977-985, 2010
Comparison of three molecular simulation approaches for cyclodextrin-ibuprofen complexation
R Wang, H Zhou, SWI Siu, Y Gan, Y Wang, D Ouyang
Journal of Nanomaterials 2015, 2015
Contribution of charged and polar residues for the formation of the E1–E2 heterodimer from Hepatitis C Virus
SA Jusoh, C Welsch, SWI Siu, RA Böckmann, V Helms
Journal of molecular modeling 16 (10), 1625-1637, 2010
Low free energy barrier for ion permeation through double-helical gramicidin
SWI Siu, RA Böckmann
The Journal of Physical Chemistry B 113 (10), 3195-3202, 2009
Structure-Based in silico screening identifies a potent ebolavirus inhibitor from a traditional chinese medicine library
F Shaikh, Y Zhao, L Alvarez, M Iliopoulou, C Lohans, CJ Schofield, ...
Journal of medicinal chemistry 62 (6), 2928-2937, 2019
Evidence for proton shuffling in a thioredoxin-like protein during catalysis
D Narzi, SWI Siu, CU Stirnimann, JPA Grimshaw, R Glockshuber, ...
Journal of molecular biology 382 (4), 978-986, 2008
Adaptive incremental genetic algorithm for task scheduling in cloud environments
K Duan, S Fong, SWI Siu, W Song, SSU Guan
Symmetry 10 (5), 168, 2018
Novel Kunitz-like Peptides Discovered in the Zoanthid Palythoa caribaeorum through Transcriptome Sequencing
Q Liao, S Li, SWI Siu, B Yang, C Huang, JYW Chan, JERL Morlighem, ...
Journal of proteome research 17 (2), 891-902, 2018
PyMOL mControl: Manipulating molecular visualization with mobile devices
WWT Lam, SWI Siu
Biochemistry and Molecular Biology Education 45 (1), 76-83, 2017
TNF receptor type II as an emerging drug target for the treatment of cancer, autoimmune diseases, and graft-versus-host disease: current perspectives and in silico search for …
F Shaikh, J He, P Bhadra, X Chen, SWI Siu
Frontiers in immunology 9, 1382, 2018
A novel shk-like toxic peptide from the transcriptome of the cnidarian palythoa caribaeorum displays neuroprotection and cardioprotection in zebrafish
Q Liao, G Gong, SWI Siu, CTT Wong, H Yu, YC Tse, G Rádis-Baptista, ...
Toxins 10 (6), 238, 2018
Identification of novel natural compound inhibitors for human complement component 5a receptor by homology modeling and virtual screening
F Shaikh, SWI Siu
Medicinal Chemistry Research 25 (8), 1564-1573, 2016
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Articles 1–20