| A massively parallel infrastructure for adaptive multiscale simulations: modeling RAS initiation pathway for cancer F Di Natale, H Bhatia, TS Carpenter, C Neale, S Kokkila-Schumacher, ... Proceedings of the International Conference for High Performance Computing …, 2019 | 80 | 2019 |
| Machine learning–driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins HI Ingólfsson, C Neale, TS Carpenter, R Shrestha, CA López, TH Tran, ... Proceedings of the National Academy of Sciences 119 (1), e2113297119, 2022 | 78 | 2022 |
| Capturing biologically complex tissue-specific membranes at different levels of compositional complexity HI Ingólfsson, H Bhatia, T Zeppelin, WFD Bennett, KA Carpenter, PC Hsu, ... The Journal of Physical Chemistry B 124 (36), 7819-7829, 2020 | 49 | 2020 |
| Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations H Bhatia, TS Carpenter, HI Ingólfsson, G Dharuman, P Karande, S Liu, ... Nature Machine Intelligence 3 (5), 401-409, 2021 | 28 | 2021 |
| Machine learning-driven multiscale modeling: bridging the scales with a next-generation simulation infrastructure HI Ingólfsson, H Bhatia, F Aydin, T Oppelstrup, CA López, LG Stanton, ... Journal of Chemical Theory and Computation 19 (9), 2658-2675, 2023 | 26 | 2023 |
| High-frequency response of classical strongly coupled plasmas Y Choi, G Dharuman, MS Murillo Physical Review E 100 (1), 013206, 2019 | 18 | 2019 |
| A generalized Ewald decomposition for screened Coulomb interactions G Dharuman, LG Stanton, JN Glosli, MS Murillo The Journal of chemical physics 146 (2), 2017 | 18 | 2017 |
| Sarkas: A fast pure-python molecular dynamics suite for plasma physics LG Silvestri, LJ Stanek, G Dharuman, Y Choi, MS Murillo Computer Physics Communications 272, 108245, 2022 | 15 | 2022 |
| Controllable non-ideal plasmas from photoionized compressed gases G Dharuman, LG Stanton, MS Murillo New Journal of Physics 20 (10), 103010, 2018 | 13 | 2018 |
| Internal electron tunneling enabled ultrasensitive position/force peapod sensors X Tao, Z Fan, BJ Nelson, G Dharuman, W Zhang, L Dong, X Li Nano letters 15 (11), 7281-7287, 2015 | 13 | 2015 |
| Protein generation via genome-scale language models with bio-physical scoring G Dharuman, L Ward, H Ma, PV Setty, O Gokdemir, S Foreman, M Emani, ... Proceedings of the SC'23 Workshops of the International Conference on High …, 2023 | 4 | 2023 |
| Bump-on-tail instability across coupling and interaction-range regimes JJ Williams, G Dharuman, M Marciante, JH Cooley, MS Murillo Physical Review Research 1 (3), 033166, 2019 | 4 | 2019 |
| Sarkas: A Fast Pure-Python Molecular Dynamics Suite for Non-Ideal Plasmas LG Silvestri, LJ Stanek, Y Choi, MS Murillo, G Dharuman 2021 IEEE International Conference on Plasma Science (ICOPS), 1-1, 2021 | 1 | 2021 |
| Atomic bound state and scattering properties of effective momentum-dependent potentials G Dharuman, J Verboncoeur, A Christlieb, MS Murillo Physical Review E 94 (4), 043205, 2016 | 1 | 2016 |
| Modeling and simulation of an ultrasensitive electron tunneling position/force nanosensor Z Fan, X Tao, G Dharuman, X Li, L Dong RSC advances 6 (10), 8297-8302, 2016 | 1 | 2016 |
| Nanorobotic end-effectors: Design, fabrication, and in situ characterization Z Fan, M Yu, G Dharuman, X Fan, L Dong The 9th IEEE International Conference on Nano/Micro Engineered and Molecular …, 2014 | 1 | 2014 |
| MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization G Dharuman, K Hippe, A Brace, S Foreman, V Hatanpää, VK Sastry, ... SC24: International Conference for High Performance Computing, Networking …, 2024 | | 2024 |
| Predicting membrane orientational states of RAS and RAS-RAF based on the lipid environment using deep learning F Aydin, K Georgouli, G Dharuman, JN Glosli, TS Carpenter, ... Biophysical Journal 122 (3), 506a, 2023 | | 2023 |
| Identifying Orientation-specific Lipid-protein Fingerprints using Deep Learning F Aydin, K Georgouli, G Dharuman, JN Glosli, FC Lightstone, ... arXiv preprint arXiv:2207.06630, 2022 | | 2022 |
| Using Machine Learning to Predict Membrane Protein States Based on their Lipid Environment AT Moody, G Dharuman, TS Carpenter, HI Ingolfsson, BC Van Essen, ... Biophysical Journal 118 (3), 497a, 2020 | | 2020 |
