| CHARMM-GUI input generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM simulations using the CHARMM36 additive force field J Lee, X Cheng, S Jo, AD MacKerell, JB Klauda, W Im Biophysical journal 110 (3), 641a, 2016 | 2846 | 2016 |
| CHARMM‐GUI Membrane Builder toward realistic biological membrane simulations EL Wu, X Cheng, S Jo, H Rui, KC Song, EM Dávila‐Contreras, Y Qi, J Lee, ... Journal of computational chemistry 35 (27), 1997-2004, 2014 | 1930 | 2014 |
| Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease W Dai, B Zhang, XM Jiang, H Su, J Li, Y Zhao, X Xie, Z Jin, J Peng, F Liu, ... Science 368 (6497), 1331-1335, 2020 | 1359 | 2020 |
| CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans J Lee, DS Patel, J Ståhle, SJ Park, NR Kern, S Kim, J Lee, X Cheng, ... Journal of chemical theory and computation 15 (1), 775-786, 2018 | 389 | 2018 |
| CHARMM-GUI martini maker for coarse-grained simulations with the martini force field Y Qi, HI Ingólfsson, X Cheng, J Lee, SJ Marrink, W Im Journal of chemical theory and computation 11 (9), 4486-4494, 2015 | 385 | 2015 |
| CHARMM‐GUI 10 years for biomolecular modeling and simulation S Jo, X Cheng, J Lee, S Kim, SJ Park, DS Patel, AH Beaven, KI Lee, H Rui, ... Journal of computational chemistry 38 (15), 1114-1124, 2017 | 258 | 2017 |
| CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues S Jo, X Cheng, SM Islam, L Huang, H Rui, A Zhu, HS Lee, Y Qi, W Han, ... Advances in protein chemistry and structural biology 96, 235-265, 2014 | 238 | 2014 |
| Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody W Yin, Y Xu, P Xu, X Cao, C Wu, C Gu, X He, X Wang, S Huang, Q Yuan, ... Science 375 (6584), 1048-1053, 2022 | 223 | 2022 |
| Crystal structures of membrane transporter MmpL3, an anti-TB drug target B Zhang, J Li, X Yang, L Wu, J Zhang, Y Yang, Y Zhao, L Zhang, X Yang, ... Cell 176 (3), 636-648. e13, 2019 | 206 | 2019 |
| Structural insights into the human D1 and D2 dopamine receptor signaling complexes Y Zhuang, P Xu, C Mao, L Wang, B Krumm, XE Zhou, S Huang, H Liu, ... Cell 184 (4), 931-942. e18, 2021 | 157 | 2021 |
| Structural insights into the lipid and ligand regulation of serotonin receptors P Xu, S Huang, H Zhang, C Mao, XE Zhou, X Cheng, IA Simon, DD Shen, ... Nature 592 (7854), 469-473, 2021 | 156 | 2021 |
| SARS-CoV-2 envelope protein causes acute respiratory distress syndrome (ARDS)-like pathological damages and constitutes an antiviral target B Xia, X Shen, Y He, X Pan, FL Liu, Y Wang, F Yang, S Fang, Y Wu, ... Cell research 31 (8), 847-860, 2021 | 137 | 2021 |
| CHARMM-GUI micelle builder for pure/mixed micelle and protein/micelle complex systems X Cheng, S Jo, HS Lee, JB Klauda, W Im Journal of chemical information and modeling 53 (8), 2171-2180, 2013 | 102 | 2013 |
| CHARMM-GUI HMMM builder for membrane simulations with the highly mobile membrane-mimetic model Y Qi, X Cheng, J Lee, JV Vermaas, TV Pogorelov, E Tajkhorshid, S Park, ... Biophysical journal 109 (10), 2012-2022, 2015 | 98 | 2015 |
| Molecular recognition of morphine and fentanyl by the human μ-opioid receptor Y Zhuang, Y Wang, B He, X He, XE Zhou, S Guo, Q Rao, J Yang, J Liu, ... Cell 185 (23), 4361-4375. e19, 2022 | 89 | 2022 |
| Structures of full-length glycoprotein hormone receptor signalling complexes J Duan, P Xu, X Cheng, C Mao, T Croll, X He, J Shi, X Luan, W Yin, E You, ... Nature 598 (7882), 688-692, 2021 | 63 | 2021 |
| Structures of the human dopamine D3 receptor-Gi complexes P Xu, S Huang, C Mao, BE Krumm, XE Zhou, Y Tan, XP Huang, Y Liu, ... Molecular Cell 81 (6), 1147-1159. e4, 2021 | 59 | 2021 |
| CHARMM-GUI PACE CG Builder for solution, micelle, and bilayer coarse-grained simulations Y Qi, X Cheng, W Han, S Jo, K Schulten, W Im Journal of chemical information and modeling 54 (3), 1003-1009, 2014 | 59 | 2014 |
| Structural basis for activation of the growth hormone-releasing hormone receptor F Zhou, H Zhang, Z Cong, LH Zhao, Q Zhou, C Mao, X Cheng, DD Shen, ... Nature communications 11 (1), 5205, 2020 | 52 | 2020 |
| Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor Y Zhuang, B Krumm, H Zhang, XE Zhou, Y Wang, XP Huang, Y Liu, ... Cell research 31 (5), 593-596, 2021 | 51 | 2021 |
Wonpil ImPresidential Endowed Chair and Professor of Biological Sciences, Lehigh UniversityVerified email at lehigh.edu
