| 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 | 743 | 2012 |
| 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), 1697, 2018 | 352 | 2018 |
| 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), 2008 | 337 | 2008 |
| 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 | 297 | 2020 |
| 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 | 185 | 2009 |
| Recent progress in the discovery and design of antimicrobial peptides using traditional machine learning and deep learning J Yan, J Cai, B Zhang, Y Wang, DF Wong, SWI Siu Antibiotics 11 (10), 1451, 2022 | 114 | 2022 |
| xDeep-AcPEP: deep learning method for anticancer peptide activity prediction based on convolutional neural network and multitask learning J Chen, HH Cheong, SWI Siu Journal of chemical information and modeling 61 (8), 3789-3803, 2021 | 107 | 2021 |
| 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 | 97 | 2015 |
| Chemical toxicity prediction based on semi-supervised learning and graph convolutional neural network J Chen, YW Si, CW Un, SWI Siu Journal of cheminformatics 13 (1), 93, 2021 | 87 | 2021 |
| 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 | 83 | 2020 |
| 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 | 77 | 2006 |
| Using machine learning methods to forecast air quality: A case study in Macao TMT Lei, SWI Siu, J Monjardino, L Mendes, F Ferreira Atmosphere 13 (9), 1412, 2022 | 64 | 2022 |
| Electric field effects on membranes: gramicidin A as a test ground SWI Siu, RA Böckmann Journal of structural biology 157 (3), 545-556, 2007 | 56 | 2007 |
| PyMOL mControl: Manipulating molecular visualization with mobile devices WWT Lam, SWI Siu Biochemistry and Molecular Biology Education 45 (1), 76-83, 2017 | 55 | 2017 |
| Application of ANN, XGBoost, and other ML methods to forecast air quality in Macau TMT Lei, SCW Ng, SWI Siu Sustainability 15 (6), 5341, 2023 | 51 | 2023 |
| 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 (1), 193049, 2015 | 50 | 2015 |
| 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 | 47 | 2018 |
| 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 | 46 | 2012 |
| 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 | 44 | 2019 |
| LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds F Shaikh, HK Tai, N Desai, SWI Siu Journal of Cheminformatics 13 (1), 44, 2021 | 43 | 2021 |
Rainer BöckmannProfessor for Computational Biology, Friedrich-Alexander-University of Erlangen-NurembergVerified email at fau.de
