| Crowding induced collective hydration of biological macromolecules over extended distances JT King, EJ Arthur, CL Brooks III, KJ Kubarych Journal of the American Chemical Society 136 (1), 188-194, 2014 | 139 | 2014 |
| Site-specific hydration dynamics of globular proteins and the role of constrained water in solvent exchange with amphiphilic cosolvents JT King, EJ Arthur, CL Brooks III, KJ Kubarych The Journal of Physical Chemistry B 116 (19), 5604-5611, 2012 | 98 | 2012 |
| On Achieving High Accuracy in Quantum Chemical Calculations of 3d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo … J Shee, B Rudshteyn, EJ Arthur, S Zhang, DR Reichman, RA Friesner Journal of chemical theory and computation 15 (4), 2346-2358, 2019 | 83 | 2019 |
| Predicting extreme pKa shifts in staphylococcal nuclease mutants with constant pH molecular dynamics EJ Arthur, JD Yesselman, CL Brooks III Proteins: Structure, Function, and Bioinformatics 79 (12), 3276-3286, 2011 | 53 | 2011 |
| Singlet–triplet energy gaps of organic biradicals and polyacenes with auxiliary-field quantum Monte Carlo J Shee, EJ Arthur, S Zhang, DR Reichman, RA Friesner Journal of chemical theory and computation 15 (9), 4924-4932, 2019 | 47 | 2019 |
| Phaseless auxiliary-field quantum Monte Carlo on graphical processing units J Shee, EJ Arthur, S Zhang, DR Reichman, RA Friesner Journal of chemical theory and computation 14 (8), 4109-4121, 2018 | 47 | 2018 |
| Ultrafast 2D-IR and simulation investigations of preferential solvation and cosolvent exchange dynamics JA Dunbar, EJ Arthur, AM White, KJ Kubarych The Journal of Physical Chemistry B 119 (20), 6271-6279, 2015 | 33 | 2015 |
| Predicting ligand-dissociation energies of 3d coordination complexes with auxiliary-field quantum Monte Carlo B Rudshteyn, D Coskun, JL Weber, EJ Arthur, S Zhang, DR Reichman, ... Journal of Chemical Theory and Computation 16 (5), 3041-3054, 2020 | 27 | 2020 |
| Efficient implementation of constant pH molecular dynamics on modern graphics processors EJ Arthur, CL Brooks III Journal of computational chemistry 37 (24), 2171-2180, 2016 | 25 | 2016 |
| Parallelization and improvements of the generalized born model with a simple s W itching function for modern graphics processors EJ Arthur, CL Brooks III Journal of computational chemistry 37 (10), 927-939, 2016 | 25 | 2016 |
| Heterogeneous preferential solvation of water and trifluoroethanol in homologous lysozymes EJ Arthur, JT King, KJ Kubarych, CL Brooks III The Journal of Physical Chemistry B 118 (28), 8118-8127, 2014 | 17 | 2014 |
| Molecular analysis and modeling of inactivation of human CYP2D6 by four mechanism based inactivators M Livezey, L D Nagy, L E Diffenderfer, E J Arthur, D J Hsi, J M Holton, ... Drug metabolism letters 6 (1), 7-14, 2012 | 17 | 2012 |
| In silico prediction of annihilators for triplet–triplet annihilation upconversion via auxiliary-field quantum Monte Carlo JL Weber, EM Churchill, S Jockusch, EJ Arthur, AB Pun, S Zhang, ... Chemical Science 12 (3), 1068-1079, 2021 | 10 | 2021 |
| Substituted imidazole of 5-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl) methyl]-1-piperazinyl] pyrimidine Inactivates cytochrome P450 2D6 by protein adduction LD Nagy, CS Mocny, LE Diffenderfer, DJ Hsi, BF Butler, EJ Arthur, ... Drug metabolism and disposition 39 (6), 974-983, 2011 | 9 | 2011 |
| Biomolecular hydration dynamics probed with 2D-IR spectroscopy: From dilute solution to a macromolecular crowd JT King, EJ Arthur, DG Osborne, CL Brooks III, KJ Kubarych Chinese Chemical Letters 26 (4), 435-438, 2015 | 7 | 2015 |
| Exploring the Solvent Environment of Biomolecular Systems. EJ Arthur | 1 | 2015 |
| In-Silico Prediction of Annihilators for Triplet Fusion Upconversion via Auxiliary-Field Quantum Monte Carlo J Weber, E Churchill, EJ Arthur, A Pun, S Zhang, R Friesner, L Campos, ... | | 2020 |
| Detecting the Influence of Ions on Protein Hydration Dynamics with Site-Specific 2D-IR JT King, EJ Arthur, CL Brooks, KJ Kubarych International Conference on Ultrafast Phenomena, 07. Mon. E. 3, 2014 | | 2014 |
| Nonequilibrium active site dynamics of de novo metalloenzymes probed with 2D-IR AM White, MR Ross, F Yu, JT King, EJ Arthur, VL Pecoraro, KJ Kubarych ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013 | | 2013 |
| Heterogeneous preferential solvation of bath components in homologous lysozyme systems EJ Arthur, CL Brooks ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
