| Using PyMOL as a platform for computational drug design S Yuan, HCS Chan, Z Hu Wiley Interdisciplinary Reviews: Computational Molecular Science 7 (2), e1298, 2017 | 573 | 2017 |
| Advancing drug discovery via artificial intelligence HCS Chan, H Shan, T Dahoun, H Vogel, S Yuan Trends in pharmacological sciences 40 (8), 592-604, 2019 | 530 | 2019 |
| PyMOL and Inkscape bridge the data and the data visualization S Yuan, HCS Chan, S Filipek, H Vogel Structure 24 (12), 2041-2042, 2016 | 178 | 2016 |
| Towards ab initio screening of co-crystal formation through lattice energy calculations and crystal structure prediction of nicotinamide, isonicotinamide, picolinamide and … HCS Chan, J Kendrick, MA Neumann, FJJ Leusen CrystEngComm 15 (19), 3799-3807, 2013 | 127 | 2013 |
| New binding sites, new opportunities for GPCR drug discovery HCS Chan, Y Li, T Dahoun, H Vogel, S Yuan Trends in biochemical sciences 44 (4), 312-330, 2019 | 120 | 2019 |
| Designing safer analgesics via μ-opioid receptor pathways HCS Chan, D McCarthy, J Li, K Palczewski, S Yuan Trends in pharmacological sciences 38 (11), 1016-1037, 2017 | 66 | 2017 |
| Molecule VI, a Benchmark Crystal‐Structure‐Prediction Sulfonimide: Are Its Polymorphs Predictable? HCS Chan, J Kendrick, FJJ Leusen Angewandte Chemie International Edition 50 (13), 2979-2981, 2011 | 64 | 2011 |
| The Molecular Mechanism of P2Y1 Receptor Activation S Yuan, HCS Chan, H Vogel, S Filipek, RC Stevens, K Palczewski Angewandte Chemie 128 (35), 10487-10491, 2016 | 63 | 2016 |
| The Principles of Ligand Specificity on beta-2-adrenergic receptor HCS Chan, S Filipek, S Yuan Scientific reports 6 (1), 34736, 2016 | 55 | 2016 |
| Structural and computational insight into the catalytic mechanism of limonene epoxide hydrolase mutants in stereoselective transformations Z Sun, L Wu, M Bocola, HCS Chan, R Lonsdale, XD Kong, S Yuan, ... Journal of the American Chemical Society 140 (1), 310-318, 2018 | 48 | 2018 |
| Implementing WebGL and HTML5 in macromolecular visualization and modern computer-aided drug design S Yuan, HCS Chan, Z Hu Trends in biotechnology 35 (6), 559-571, 2017 | 45 | 2017 |
| Exploring a new ligand binding site of G protein-coupled receptors HCS Chan, J Wang, K Palczewski, S Filipek, H Vogel, ZJ Liu, S Yuan Chemical science 9 (31), 6480-6489, 2018 | 41 | 2018 |
| Clinical HDAC inhibitors are effective drugs to prevent the entry of SARS-CoV2 K Liu, R Zou, W Cui, M Li, X Wang, J Dong, H Li, H Li, P Wang, X Shao, ... ACS pharmacology & translational science 3 (6), 1361-1370, 2020 | 28 | 2020 |
| Enhancing the signaling of GPCRs via orthosteric ions HCS Chan, Y Xu, L Tan, H Vogel, J Cheng, D Wu, S Yuan ACS Central Science 6 (2), 274-282, 2020 | 27 | 2020 |
| Can picolinamide be a promising cocrystal former? HCS Chan, GR Woollam, T Wagner, MU Schmidt, RA Lewis CrystEngComm 16 (21), 4365-4368, 2014 | 25 | 2014 |
| Phase solubility investigation and theoretical calculations on drug-drug cocrystals of carbamazepine with Emodin, Paeonol D Huang, HCS Chan, Y Wu, L Li, L Zhang, Y Lv, X Yang, Z Zhou Journal of Molecular Liquids 329, 115604, 2021 | 22 | 2021 |
| Phase solubility diagrams and energy surface calculations support the solubility enhancement with low hygroscopicity of Bergenin: 4-Aminobenzamide (1: 1) cocrystal H Liu, J Nie, HCS Chan, H Zhang, L Li, H Lin, HHY Tong, A Ma, Z Zhou International Journal of Pharmaceutics 601, 120537, 2021 | 19 | 2021 |
| Predictability of the polymorphs of small organic compounds: Crystal structure predictions of four benchmark blind test molecules HCS Chan, J Kendrick, FJJ Leusen Physical Chemistry Chemical Physics 13 (45), 20361-20370, 2011 | 19 | 2011 |
| Accurate physical property predictions via deep learning Y Hou, S Wang, B Bai, HCS Chan, S Yuan Molecules 27 (5), 1668, 2022 | 18 | 2022 |
| The role of metal ions in G protein‐coupled receptor signalling and drug discovery R Zou, X Wang, S Li, HCS Chan, H Vogel, S Yuan Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (2), e1565, 2022 | 18 | 2022 |
