| Constant-pH molecular dynamics simulations for large biomolecular systems BK Radak, C Chipot, D Suh, S Jo, W Jiang, JC Phillips, K Schulten, ... Journal of chemical theory and computation 13 (12), 5933-5944, 2017 | 167 | 2017 |
| Advances in molecular dynamics simulations and enhanced sampling methods for the study of protein systems R Lazim, D Suh, S Choi International journal of molecular sciences 21 (17), 6339, 2020 | 122 | 2020 |
| Reproducibility of free energy calculations across different molecular simulation software packages HH Loeffler, S Bosisio, G Duarte Ramos Matos, D Suh, B Roux, ... Journal of chemical theory and computation 14 (11), 5567-5582, 2018 | 79 | 2018 |
| String method for protein–protein binding free-energy calculations D Suh, S Jo, W Jiang, C Chipot, B Roux Journal of Chemical Theory and Computation 15 (11), 5829-5844, 2019 | 39 | 2019 |
| Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics–Monte Carlo propagator D Suh, BK Radak, C Chipot, B Roux The Journal of chemical physics 148 (1), 2018 | 30 | 2018 |
| Leveraging the information from Markov state models to improve the convergence of umbrella sampling simulations S Jo, D Suh, Z He, C Chipot, B Roux The journal of physical chemistry B 120 (33), 8733-8742, 2016 | 20 | 2016 |
| Recent applications of deep learning methods on evolution-and contact-based protein structure prediction D Suh, JW Lee, S Choi, Y Lee International Journal of Molecular Sciences 22 (11), 6032, 2021 | 15 | 2021 |
| 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 | 9 | 2022 |
| Structural characterization of receptor–receptor interactions in the allosteric modulation of G protein-coupled receptor (Gpcr) dimers R Lazim, D Suh, JW Lee, TNL Vu, S Yoon, S Choi International Journal of Molecular Sciences 22 (6), 3241, 2021 | 8 | 2021 |
| A generalized linear response framework for expanded ensemble and replica exchange simulations BK Radak, D Suh, B Roux The Journal of Chemical Physics 149 (7), 2018 | 8 | 2018 |
| Correction to constant-pH molecular dynamics simulations for large biomolecular systems BK Radak, C Chipot, D Suh, S Jo, W Jiang, JC Phillips, K Schulten, ... Journal of Chemical Theory and Computation 14 (12), 6748-6749, 2018 | 5 | 2018 |
| 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 | 4 | 2022 |
| CHARMM-GUI QM/MM interfacer for the hybrid QM/MM molecular dynamics simulations D Suh, K Nam, W Im Biophysical Journal 122 (3), 424a, 2023 | 1 | 2023 |
| CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Molecular Mechanical (QM/MM) Simulation Setup: 1. Semiempirical Methods D Suh, AR Arattu Thodika, S Kim, K Nam, W Im Journal of Chemical Theory and Computation, 2024 | | 2024 |
| CHARMM-GUI constant-pH simulator for the constant-pH molecular dynamics simulations D Suh, H Zhang, W Im Biophysical Journal 123 (3), 423a, 2024 | | 2024 |
| Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software HH Loeffler, S Bosisio, GDR Matos, D Suh, B Roux, DL Mobley, J Michel, ... | | |
