Shirley W. I. Siu

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

Shirley W. I. Siu, Kristýna Pluháčková, Rainer A. Böckmann · Journal of Chemical Theory and Computation · 2012 · 628 citations

Engineering, Computational Chemistry, Chemistry +16

AmPEP: Sequence-based prediction of antimicrobial peptides using distribution patterns of amino acid properties and random forest

Pratiti Bhadra, Jielu Yan, Jinyan Li et al. · Scientific Reports · 2018 · 315 citations · Full text

Deep-AmPEP30: Improve Short Antimicrobial Peptides Prediction with Deep Learning

Jielu Yan, Pratiti Bhadra, Ang Li et al. · Molecular Therapy — Nucleic Acids · 2020 · 262 citations · Full text

Biomolecular simulations of membranes: Physical properties from different force fields

Shirley W. I. Siu, Robert Vácha, Pavel Jungwirth et al. · The Journal of Chemical Physics · 2008 · 259 citations

Membrane Structure, Proteinlipid Interaction, Phospholipid Force Fields +15

Effects of Alkali Cations and Halide Anions on the DOPC Lipid Membrane

Robert Vácha, Shirley W. I. Siu, Michal Petrov et al. · The Journal of Physical Chemistry A · 2009 · 162 citations

Proteinlipid Interaction, Engineering, Chemistry +17