| A mechanism for the activation of the mechanosensitive Piezo1 channel by the small molecule Yoda1 WM Botello-Smith, W Jiang, H Zhang, AD Ozkan, YC Lin, CN Pham, ... Nature communications 10 (1), 4503, 2019 | 228 | 2019 |
| CHARMM-GUI free energy calculator for absolute and relative ligand solvation and binding free energy simulations S Kim, H Oshima, H Zhang, NR Kern, S Re, J Lee, B Roux, Y Sugita, ... Journal of chemical theory and computation 16 (11), 7207-7218, 2020 | 86 | 2020 |
| PRMT1-mediated FLT3 arginine methylation promotes maintenance of FLT3-ITD+ acute myeloid leukemia X He, Y Zhu, YC Lin, M Li, J Du, H Dong, J Sun, L Zhu, H Wang, Z Ding, ... Blood, The Journal of the American Society of Hematology 134 (6), 548-560, 2019 | 84 | 2019 |
| Can relative binding free energy predict selectivity of reversible covalent inhibitors? P Chatterjee, WM Botello-Smith, H Zhang, L Qian, A Alsamarah, D Kent, ... Journal of the American Chemical Society 139 (49), 17945-17952, 2017 | 54 | 2017 |
| Ranking reversible covalent drugs: from free energy perturbation to fragment docking H Zhang, W Jiang, P Chatterjee, Y Luo Journal of chemical information and modeling 59 (5), 2093-2102, 2019 | 50 | 2019 |
| Crowding-induced opening of the mechanosensitive Piezo1 channel in silico W Jiang, JS Del Rosario, W Botello-Smith, S Zhao, Y Lin, H Zhang, ... Communications Biology 4 (1), 84, 2021 | 48 | 2021 |
| Methotrexate recognition by the human reduced folate carrier SLC19A1 NJ Wright, JG Fedor, H Zhang, P Jeong, Y Suo, J Yoo, J Hong, W Im, ... Nature 609 (7929), 1056-1062, 2022 | 44 | 2022 |
| CHARMM-GUI free energy calculator for practical ligand binding free energy simulations with AMBER H Zhang, S Kim, TJ Giese, TS Lee, J Lee, DM York, W Im Journal of chemical information and modeling 61 (9), 4145-4151, 2021 | 37 | 2021 |
| Targeting PRMT1-mediated FLT3 methylation disrupts maintenance of MLL-rearranged acute lymphoblastic leukemia Y Zhu, X He, YC Lin, H Dong, L Zhang, X Chen, Z Wang, Y Shen, M Li, ... Blood, The Journal of the American Society of Hematology 134 (15), 1257-1268, 2019 | 36 | 2019 |
| CHARMM‐GUI high‐throughput simulator for efficient evaluation of protein–ligand interactions with different force fields H Guterres, SJ Park, H Zhang, T Perone, J Kim, W Im Protein Science 31 (9), e4413, 2022 | 22 | 2022 |
| The connexin26 human mutation N14K disrupts cytosolic intersubunit interactions and promotes channel opening JM Valdez Capuccino, P Chatterjee, IE García, WM Botello-Smith, ... Journal of General Physiology 151 (3), 328-341, 2019 | 18 | 2019 |
| CHARMM‐GUI Enhanced Sampler for various collective variables and enhanced sampling methods D Suh, S Feng, H Lee, H Zhang, SJ Park, S Kim, J Lee, S Choi, W Im Protein Science 31 (11), e4446, 2022 | 16 | 2022 |
| Structural and thermodynamic framework for PIEZO1 modulation by small molecules W Jiang, TD Wijerathne, H Zhang, YC Lin, S Jo, W Im, JJ Lacroix, YL Luo Proceedings of the National Academy of Sciences 120 (50), e2310933120, 2023 | 12 | 2023 |
| Practical Guidance for Consensus Scoring and Force Field Selection in Protein–Ligand Binding Free Energy Simulations H Zhang, S Kim, W Im Journal of chemical information and modeling 62 (23), 6084-6093, 2022 | 12 | 2022 |
| CHARMM-GUI LBS Finder & Refiner for Ligand Binding Site Prediction and Refinement H Guterres, SJ Park, H Zhang, W Im Journal of chemical information and modeling 61 (8), 3744-3751, 2021 | 10 | 2021 |
| CHARMM-GUI implicit solvent modeler for various generalized born models in different simulation programs KW Wang, J Lee, H Zhang, D Suh, W Im The Journal of Physical Chemistry B 126 (38), 7354-7364, 2022 | 8 | 2022 |
| Alterations at Arg76 of human connexin 46, a residue associated with cataract formation, cause loss of gap junction formation but preserve hemichannel function CK Abrams, A Peinado, R Mahmoud, M Bocarsly, H Zhang, P Chang, ... American Journal of Physiology-Cell Physiology 315 (5), C623-C635, 2018 | 8 | 2018 |
| Binding Free Energies of Piezo1 Channel Agonists at Protein-Membrane Interface W Jiang, H Zhang, W Im, JJ Lacroix, YL Luo bioRxiv, 2022.06. 27.497657, 2022 | 2 | 2022 |
| CHARMM-GUI Enhanced Sampler for molecular dynamics simulations with collective variables and various enhanced sampling methods D Suh, S Feng, S Kim, H Lee, SJ Park, H Zhang, S Choi, K Wang, J Lee, ... Biophysical Journal 121 (3), 274a, 2022 | 2 | 2022 |
| CHARMM-GUI constant-pH simulator for the constant-pH molecular dynamics simulations D Suh, H Zhang, W Im Biophysical Journal 123 (3), 423a, 2024 | 1 | 2024 |
Yun LuoAssociate ProfessorVerified email at westernu.edu