REVO: Resampling of ensembles by variation optimization N Donyapour, NM Roussey, A Dickson The Journal of Chemical Physics 150 (24), 244112, 2019 | 56 | 2019 |
Multistep peripherin-2/rds self-assembly drives membrane curvature for outer segment disk architecture and photoreceptor viability ML Milstein, BL Cavanaugh, NM Roussey, S Volland, DS Williams, ... Proceedings of the National Academy of Sciences 117 (8), 4400-4410, 2020 | 22 | 2020 |
Enhanced Jarzynski free energy calculations using weighted ensemble NM Roussey, A Dickson The Journal of Chemical Physics 153 (13), 134116, 2020 | 6 | 2020 |
Local ion densities can influence transition paths of molecular binding N Roussey, A Dickson Frontiers in Molecular Biosciences, 403, 0 | 3 | |
Quality over quantity: Sampling high probability rare events with the Weighted Ensemble algorithm N Roussey, A Dickson | 2 | 2022 |
FLEXIBLE TOPOLOGY: A NEW METHOD FOR DYNAMIC DRUG DESIGN N Donyapour, N Roussey, S Bose, A Dickson | | 2022 |
Wepy: Tool for exploring rough free energy landscapes S Lotz, N Donyapour, N Roussey, T Dixon, A Dickson ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Development of rare-event sampling methods for biomolecular transport systems N Roussey, A Dickson ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |