| OpenMSCG: A Software Tool for Bottom-Up Coarse-Graining Y Peng, AJ Pak, AEP Durumeric, PG Sahrmann, S Mani, J Jin, TD Loose, ... The Journal of Physical Chemistry B 127 (40), 8537-8550, 2023 | 33 | 2023 |
| Utilizing machine learning to greatly expand the range and accuracy of bottom-up coarse-grained models through virtual particles PG Sahrmann, TD Loose, AEP Durumeric, GA Voth Journal of Chemical Theory and Computation 19 (14), 4402-4413, 2023 | 21 | 2023 |
| Centroid molecular dynamics can be greatly accelerated through neural network learned centroid forces derived from path integral molecular dynamics TD Loose, PG Sahrmann, GA Voth Journal of Chemical Theory and Computation 18 (10), 5856-5863, 2022 | 14 | 2022 |
| Coarse-graining with equivariant neural networks: A path toward accurate and data-efficient models TD Loose*, PG Sahrmann*, TS Qu, GA Voth The Journal of Physical Chemistry B 127 (49), 10564-10572, 2023 | 13 | 2023 |
| MRP. py: A Parametrizer of Post-Translationally Modified Residues PG Sahrmann, PH Donnan, KM Merz Jr, SO Mansoorabadi, DC Goodwin Journal of Chemical Information and Modeling 60 (10), 4424-4428, 2020 | 4 | 2020 |
| On the emergence of machine-learning methods in bottom-up coarse-graining PG Sahrmann, GA Voth Current Opinion in Structural Biology 90, 102972, 2025 | 1 | 2025 |
| Entropy-based methods for formulating bottom-up ultra-coarse-grained models PG Sahrmann, GA Voth The Journal of Chemical Physics 162 (4), 2025 | | 2025 |
| Understanding the Coarse-grained Free Energy Landscape of Phospholipids and Their Phase Separation PG Sahrmann, GA Voth Biophysical Journal, 2024 | | 2024 |
| Enhancing the Assembly Properties of Bottom-Up Coarse-Grained Phospholipids PG Sahrmann, GA Voth Journal of Chemical Theory and Computation, 2024 | | 2024 |
| Changing Your Martini Can Still Give You a Hangover TD Loose, PG Sahrmann, TS Qu, GA Voth Journal of Chemical Theory and Computation 20 (20), 9190-9208, 2024 | | 2024 |