| 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), 2020 | 173 | 2020 |
| Flow-matching: Efficient coarse-graining of molecular dynamics without forces J Kohler, Y Chen, A Kramer, C Clementi, F Noé Journal of Chemical Theory and Computation 19 (3), 942-952, 2023 | 63 | 2023 |
| 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), 2021 | 62 | 2021 |
| 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 | 53 | 2023 |
| 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 | 22 | 2023 |
| Posttranscriptional site-directed spin labeling of large RNAs with an unnatural base pair system under non-denaturing conditions Y Wang, V Kathiresan, Y Chen, Y Hu, W Jiang, G Bai, G Liu, PZ Qin, ... Chemical science 11 (35), 9655-9664, 2020 | 19 | 2020 |
| Site-specific covalent labeling of large RNAs with nanoparticles empowered by expanded genetic alphabet transcription Y Wang, Y Chen, Y Hu, X Fang Proceedings of the National Academy of Sciences 117 (37), 22823-22832, 2020 | 18 | 2020 |
| 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 | 12 | 2023 |
| Learning data efficient coarse-grained molecular dynamics from forces and noise AEP Durumeric, Y Chen, F Noé, C Clementi arXiv preprint arXiv:2407.01286, 2024 | 1 | 2024 |
| Scalable emulation of protein equilibrium ensembles with generative deep learning S Lewis, T Hempel, J Jiménez Luna, M Gastegger, Y Xie, AYK Foong, ... bioRxiv, 2024.12. 05.626885, 2024 | | 2024 |
