| A suite of tutorials for the WESTPA rare-events sampling software [Article v1. 0] AT Bogetti, B Mostofian, A Dickson, AJ Pratt, AS Saglam, PO Harrison, ... Living journal of computational molecular science 1 (2), 10607, 2019 | 1005 | 2019 |
| Isothermal analysis of ThermoFluor data can readily provide quantitative binding affinities N Bai, H Roder, A Dickson, J Karanicolas Scientific reports 9 (1), 2650, 2019 | 185 | 2019 |
| Unbiased molecular dynamics of 11 min timescale drug unbinding reveals transition state stabilizing interactions SD Lotz, A Dickson Journal of the American Chemical Society 140 (2), 618-628, 2018 | 145 | 2018 |
| The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations A Rizzi, T Jensen, DR Slochower, M Aldeghi, V Gapsys, D Ntekoumes, ... Journal of computer-aided molecular design 34 (5), 601-633, 2020 | 129 | 2020 |
| WExplore: Hierarchical Exploration of High-Dimensional Spaces Using the Weighted Ensemble Algorithm A Dickson, CL Brooks III Journal of Physical Chemistry B, 2014 | 120 | 2014 |
| Enhanced sampling of nonequilibrium steady states A Dickson, AR Dinner Annual review of physical chemistry 61 (1), 441-459, 2010 | 103 | 2010 |
| Nonequilibrium umbrella sampling in spaces of many order parameters A Dickson, A Warmflash, AR Dinner The Journal of chemical physics 130 (7), 2009 | 96 | 2009 |
| Multiple ligand unbinding pathways and ligand-induced destabilization revealed by WExplore A Dickson, SD Lotz Biophysical journal 112 (4), 620-629, 2017 | 94 | 2017 |
| Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry T Dixon, D MacPherson, B Mostofian, T Dauzhenka, S Lotz, D McGee, ... Nature communications 13 (1), 5884, 2022 | 93 | 2022 |
| Separating forward and backward pathways in nonequilibrium umbrella sampling A Dickson, A Warmflash, AR Dinner The Journal of chemical physics 131 (15), 2009 | 90 | 2009 |
| REVO: Resampling of ensembles by variation optimization N Donyapour, NM Roussey, A Dickson The Journal of chemical physics 150 (24), 2019 | 67 | 2019 |
| Ligand release pathways obtained with WExplore: residence times and mechanisms A Dickson, SD Lotz The Journal of Physical Chemistry B 120 (24), 5377-5385, 2016 | 62 | 2016 |
| Native states of fast-folding proteins are kinetic traps A Dickson, CL Brooks III Journal of the American Chemical Society 135 (12), 4729-4734, 2013 | 55 | 2013 |
| Kinetics of ligand binding through advanced computational approaches: a review A Dickson, P Tiwary, H Vashisth Current topics in medicinal chemistry 17 (23), 2626-2641, 2017 | 54 | 2017 |
| Mapping the Ligand Binding Landscape A Dickson Biophysical Journal 115 (9), 1707-1719, 2018 | 50 | 2018 |
| A biosensor-based framework to measure latent proteostasis capacity RJ Wood, AR Ormsby, M Radwan, D Cox, A Sharma, T Vöpel, ... Nature communications 9 (1), 287, 2018 | 48 | 2018 |
| Flow-dependent unfolding and refolding of an RNA by nonequilibrium umbrella sampling A Dickson, M Maienschein-Cline, A Tovo-Dwyer, JR Hammond, ... Journal of Chemical Theory and Computation 7 (9), 2710-2720, 2011 | 47 | 2011 |
| On calculating free energy differences using ensembles of transition paths R Hall, T Dixon, A Dickson Frontiers in molecular biosciences 7, 106, 2020 | 46 | 2020 |
| Predicting ligand binding affinity using on-and off-rates for the SAMPL6 SAMPLing challenge T Dixon, SD Lotz, A Dickson Journal of computer-aided molecular design 32 (10), 1001-1012, 2018 | 46 | 2018 |
| Membrane-mediated ligand unbinding of the PK-11195 ligand from TSPO T Dixon, A Uyar, S Ferguson-Miller, A Dickson Biophysical journal 120 (1), 158-167, 2021 | 43 | 2021 |
Charles L. Brooks IIICyrus Levinthal Distinguished University Professor of Chemistry and Biophysics; Warner-Lambert/ParkeVerified email at umich.edu
