| Improving AutoDock Vina using random forest: the growing accuracy of binding affinity prediction by the effective exploitation of larger data sets H Li, KS Leung, MH Wong, PJ Ballester Molecular informatics 34 (2‐3), 115-126, 2015 | 193 | 2015 |
| idock: A multithreaded virtual screening tool for flexible ligand docking H Li, KS Leung, MH Wong 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and …, 2012 | 105 | 2012 |
| Substituting random forest for multiple linear regression improves binding affinity prediction of scoring functions: Cyscore as a case study H Li, KS Leung, MH Wong, PJ Ballester BMC bioinformatics 15 (1), 1-12, 2014 | 102 | 2014 |
| istar: A web platform for large-scale protein-ligand docking H Li, KS Leung, PJ Ballester, MH Wong PLoS One 9 (1), e85678, 2014 | 100 | 2014 |
| Machine‐learning scoring functions for structure‐based virtual screening H Li, KH Sze, G Lu, PJ Ballester Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (1), e1478, 2020 | 83 | 2020 |
| Machine‐learning scoring functions for structure‐based drug lead optimization H Li, KH Sze, G Lu, PJ Ballester Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (5), e1465, 2020 | 81 | 2020 |
| Improving prediction of phenotypic drug response on cancer cell lines using deep convolutional network P Liu, H Li, S Li, KS Leung BMC bioinformatics 20 (1), 1-14, 2019 | 74 | 2019 |
| Low-quality structural and interaction data improves binding affinity prediction via random forest H Li, KS Leung, MH Wong, PJ Ballester Molecules 20 (6), 10947-10962, 2015 | 73 | 2015 |
| iview: an interactive WebGL visualizer for protein-ligand complex H Li, KS Leung, T Nakane, MH Wong BMC bioinformatics 15 (1), 1-6, 2014 | 68 | 2014 |
| In silico identification and in vitro and in vivo validation of anti-psychotic drug fluspirilene as a potential CDK2 inhibitor and a candidate anti-cancer drug XN Shi, H Li, H Yao, X Liu, L Li, KS Leung, H Kung, D Lu, MH Wong, ... PloS one 10 (7), e0132072, 2015 | 67 | 2015 |
| Classical scoring functions for docking are unable to exploit large volumes of structural and interaction data H Li, J Peng, P Sidorov, Y Leung, KS Leung, MH Wong, G Lu, PJ Ballester Bioinformatics 35 (20), 3989-3995, 2019 | 50 | 2019 |
| USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques H Li, KS Leung, MH Wong, PJ Ballester Nucleic acids research 44 (W1), W436-W441, 2016 | 48 | 2016 |
| The impact of protein structure and sequence similarity on the accuracy of machine-learning scoring functions for binding affinity prediction H Li, J Peng, Y Leung, KS Leung, MH Wong, G Lu, PJ Ballester Biomolecules 8 (1), 12, 2018 | 47 | 2018 |
| Correcting the impact of docking pose generation error on binding affinity prediction H Li, KS Leung, MH Wong, PJ Ballester BMC bioinformatics 17 (11), 13-25, 2016 | 44 | 2016 |
| Adapalene inhibits the activity of cyclin-dependent kinase 2 in colorectal carcinoma XN Shi, H Li, H Yao, X Liu, L Li, KS Leung, HF Kung, MCM Lin Molecular medicine reports 12 (5), 6501-6508, 2015 | 39 | 2015 |
| A fast CUDA implementation of agrep algorithm for approximate nucleotide sequence matching H Li, B Ni, MH Wong, KS Leung 2011 IEEE 9th Symposium on Application Specific Processors (SASP), 74-77, 2011 | 28 | 2011 |
| MolTarPred: a web tool for comprehensive target prediction with reliability estimation A Peón, H Li, G Ghislat, KS Leung, MH Wong, G Lu, PJ Ballester Chemical biology & drug design 94 (1), 1390-1401, 2019 | 24 | 2019 |
| Discovery of rafoxanide as a dual CDK4/6 inhibitor for the treatment of skin cancer X Shi, H Li, A Shi, H Yao, K Ke, C Dong, Y Zhu, Y Qin, Y Ding, YH He, ... Oncology reports 40 (3), 1592-1600, 2018 | 21 | 2018 |
| Wiley Interdisciplinary Reviews: Computational Molecular Science H Li, KH Sze, G Lu | 17 | |
| Econazole nitrate inhibits PI3K activity and promotes apoptosis in lung cancer cells C Dong, R Yang, H Li, K Ke, C Luo, F Yang, XN Shi, Y Zhu, X Liu, ... Scientific Reports 7 (1), 1-11, 2017 | 15 | 2017 |
Kwong Sak LeungProfessor of Computer Science and Engineering, Chinese University of Hong KongVerified email at cse.cuhk.edu.hk
