| Machine learning of coarse-grained molecular dynamics force fields J Wang, S Olsson, C Wehmeyer, A Pérez, NE Charron, G De Fabritiis, ... ACS central science, 2019 | 413 | 2019 |
| Coarse graining molecular dynamics with graph neural networks BE Husic, NE Charron, D Lemm, J Wang, A Pérez, M Majewski, A Krämer, ... The Journal of chemical physics 153 (19), 194101, 2020 | 143 | 2020 |
| Understanding membrane-active antimicrobial peptides NEC Huey W. Huang Quarterly Reviews of Biophysics 50, 2017 | 62 | 2017 |
| Comparative Study of the Condensing Effects of Ergosterol and Cholesterol WC Hung, MT Lee, H Chung, YT Sun, H Chen, NE Charron, HW Huang Biophysical journal 110 (9), 2026-2033, 2016 | 48 | 2016 |
| Machine learning implicit solvation for molecular dynamics Y Chen, A Krämer, NE Charron, BE Husic, C Clementi, F Noé The Journal of Chemical Physics 155 (8), 084101, 2021 | 46 | 2021 |
| Comparison of the Effects of Daptomycin on Bacterial and Model Membranes MT Lee, PY Yang, NE Charron, MH Hsieh, YY Chang, HW Huang Biochemistry 57 (38), 5629-5639, 2018 | 38 | 2018 |
| Machine learned coarse-grained protein force-fields: Are we there yet? AEP Durumeric, NE Charron, C Templeton, F Musil, K Bonneau, ... Current Opinion in Structural Biology 79, 102533, 2023 | 33 | 2023 |
| Machine Learning Coarse-Grained Potentials of Protein Thermodynamics M Majewski, A Pérez, P Thölke, S Doerr, NE Charron, T Giorgino, ... arXiv preprint arXiv:2212.07492, 2022 | 26 | 2022 |
| Statistically optimal force aggregation for coarse-graining molecular dynamics A Krämer, AEP Durumeric, NE Charron, Y Chen, C Clementi, F Noé The Journal of Physical Chemistry Letters 14 (17), 3970-3979, 2023 | 13 | 2023 |
| Temporally Coherent Backmapping of Molecular Trajectories From Coarse-Grained to Atomistic Resolution K Shmilovich, M Stieffenhofer, NE Charron, M Hoffmann The Journal of Physical Chemistry A 126 (48), 9124-9139, 2022 | 8 | 2022 |
| Navigating protein landscapes with a machine-learned transferable coarse-grained model NE Charron, F Musil, A Guljas, Y Chen, K Bonneau, AS Pasos-Trejo, ... arXiv preprint arXiv:2310.18278, 2023 | 2 | 2023 |
| Deep Spectral Coarse Graining: Learning Simple, Dynamically Consistent Protein Models N Charron, F Nüske, J Wang, L Boninsegna, A Patel, C Clementi Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Structural and Mechanical Effects of Calcium on the Lipid Bilayer NE Charron, PY Yang, HW Huang Biophysical Journal 114 (3), 273a, 2018 | | 2018 |
| How does the Membrane-Active Antibiotic Daptomycin Work? HW Huang, NE Charron, MT Lee, MH Hsieh, YY Chang Biophysical Journal 114 (3), 452a, 2018 | | 2018 |
| Interaction of Daptomycin and Calcium with Lipid Bilayers NE Charron, YP Chang, MT Lee, HW Huang Biophysical Journal 112 (3), 222a, 2017 | | 2017 |
| Machine Learning Implicit Solvent Method for Molecular Dynamics Y Chen, A Krämer, NE Charron, BE Husic, C Clementi, F Noé Advanced Physical and Computational Techniques to Investigate Protein Dynamics, 0 | | |
Huey W. HuangDepartment of Physics, Rice University, Houston TexasBestätigte E-Mail-Adresse bei rice.edu
