| Water Dynamics in Protein Hydration Shells: The Molecular Origins of the Dynamical Perturbation AC Fogarty, D Laage The Journal of Physical Chemistry B 118 (28), 7715-7729, 2014 | 278 | 2014 |
| Dynamical disorder in the DNA hydration shell E Duboué-Dijon, AC Fogarty, JT Hynes, D Laage Journal of the American Chemical Society 138 (24), 7610-7620, 2016 | 136 | 2016 |
| Biomolecular hydration dynamics: a jump model perspective AC Fogarty, E Duboué-Dijon, F Sterpone, JT Hynes, D Laage Chemical Society Reviews 42 (13), 5672-5683, 2013 | 130 | 2013 |
| Temperature dependence of coarse-grained potentials for liquid hexane K Farah, AC Fogarty, MC Böhm, F Müller-Plathe Physical Chemistry Chemical Physics 13 (7), 2894-2902, 2011 | 69 | 2011 |
| Reorientational Dynamics of Water Confined in Zeolites AC Fogarty, FX Coudert, A Boutin, D Laage ChemPhysChem 15 (3), 521-529, 2014 | 64 | 2014 |
| Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties AC Fogarty, R Potestio, K Kremer The Journal of chemical physics 142 (19), 195101, 2015 | 60 | 2015 |
| Origins of the non-exponential reorientation dynamics of nanoconfined water AC Fogarty, E Duboué-Dijon, D Laage, WH Thompson The Journal of Chemical Physics 141 (18), 18C523, 2014 | 50 | 2014 |
| Temperature dependence of hydrophobic hydration dynamics: From retardation to acceleration E Duboué-Dijon, AC Fogarty, D Laage The Journal of Physical Chemistry B 118 (6), 1574-1583, 2014 | 48 | 2014 |
| Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations K Kreis, AC Fogarty, K Kremer, R Potestio The European Physical Journal Special Topics 224 (12), 2289-2304, 2015 | 45 | 2015 |
| Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations K Kreis, AC Fogarty, K Kremer, R Potestio Eur. Phys. J. Special Topics 224, 2289-2304, 2015 | 45 | 2015 |
| ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation HV Guzman, N Tretyakov, H Kobayashi, AC Fogarty, K Kreis, J Krajniak, ... Computer Physics Communications 238, 66-76, 2019 | 41 | 2019 |
| A multi‐resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand‐binding site AC Fogarty, R Potestio, K Kremer Proteins: Structure, Function, and Bioinformatics 84 (12), 1902-1913, 2016 | 38 | 2016 |
| Adaptive resolution simulations with self-adjusting high-resolution regions K Kreis, R Potestio, K Kremer, AC Fogarty Journal of Chemical Theory and Computation 12 (8), 4067-4081, 2016 | 32 | 2016 |
| Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues R Fiorentini, K Kremer, R Potestio, AC Fogarty The Journal of Chemical Physics 146 (24), 244113, 2017 | 26 | 2017 |
| Extraction of lifetime distributions from fluorescence decays with application to DNA-base analogues AC Fogarty, AC Jones, PJ Camp Physical Chemistry Chemical Physics 13 (9), 3819-3830, 2011 | 23 | 2011 |
| Coupled valence-bond state molecular dynamics description of an enzyme-catalyzed reaction in a non-aqueous organic solvent E Duboue-Dijon, E Pluhařová, D Domin, K Sen, AC Fogarty, N Chéron, ... The Journal of Physical Chemistry B 121 (29), 7027-7041, 2017 | 11 | 2017 |
| Scalable and fast concurrent multiscale molecular simulation with predictive parallelization scheme HV Guzman, C Junghans, K Kreis, A Fogarty, K Kremer, T Stuehn Bulletin of the American Physical Society 62, 2017 | | 2017 |
| Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations K Kreis, AC Fogarty, K Kremer, R Potestio The European Physical Journal Special Topics 224 (12), 2505-2506, 2015 | | 2015 |
| DNA hydration dynamics: Detailed mapping and dynamics in the minor groove E Duboue-Dijon, A Fogarty, J Hynes, D Laage ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
| B. 51 Role of Hydration Shell in the Transesterification Reaction Catalyzed by Subtilisin Carlsberg in Hexane K Sen, D Domin, E Duboué-Dijon, A Fogarty, D Laage Bienvenue à Paris pour le 14e des Rencontres des, 176, 2015 | | 2015 |