Shirley W. I. Siu
Shirley W. I. Siu
University of Macau
Verified email at - Homepage
Cited by
Cited by
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
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
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
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
Deep-AmPEP30: Improve short antimicrobial peptides prediction with deep learning
J Yan, P Bhadra, A Li, P Sethiya, L Qin, HK Tai, KH Wong, SWI Siu
Molecular Therapy-Nucleic Acids 20, 882-894, 2020
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
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
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
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
In vitro and MD simulation study to explore physicochemical parameters for antibacterial peptide to become potent anticancer peptide
R Ma, SW Wong, L Ge, C Shaw, SWI Siu, HF Kwok
Molecular Therapy-Oncolytics 16, 7-19, 2020
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
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
Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening
HK Tai, SA Jusoh, SWI Siu
Journal of cheminformatics 10 (1), 1-13, 2018
Novel neurotoxic peptides from Protopalythoa variabilis virtually interact with voltage-gated sodium channel and display anti-epilepsy and neuroprotective activities in zebrafish
Q Liao, S Li, SWI Siu, JÉRL Morlighem, CTT Wong, X Wang, ...
Archives of toxicology 93 (1), 189-206, 2019
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