| Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy JMJ Swanson, RH Henchman, JA McCammon Biophysical journal 86 (1), 67-74, 2004 | 590 | 2004 |
| Proton solvation and transport in aqueous and biomolecular systems: Insights from computer simulations JMJ Swanson, CM Maupin, H Chen, MK Petersen, J Xu, Y Wu, GA Voth The Journal of Physical Chemistry B 111 (17), 4300-4314, 2007 | 324 | 2007 |
| Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models J Dzubiella, JMJ Swanson, JA McCammon Physical review letters 96 (8), 087802, 2006 | 202 | 2006 |
| Coupling nonpolar and polar solvation free energies in implicit solvent models J Dzubiella, JMJ Swanson, JA McCammon The Journal of chemical physics 124 (8), 2006 | 161 | 2006 |
| Computer simulation of water in cytochrome c oxidase X Zheng, DM Medvedev, J Swanson, AA Stuchebrukhov Biochimica et Biophysica Acta (BBA)-Bioenergetics 1557, 99-107, 2003 | 123 | 2003 |
| Limitations of atom-centered dielectric functions in implicit solvent models JMJ Swanson, J Mongan, JA McCammon The Journal of Physical Chemistry B 109 (31), 14769-14772, 2005 | 108 | 2005 |
| Role of charge transfer in the structure and dynamics of the hydrated proton JMJ Swanson, J Simons The Journal of Physical Chemistry B 113 (15), 5149-5161, 2009 | 105 | 2009 |
| Optimized radii for Poisson− Boltzmann calculations with the AMBER force field JMJ Swanson, SA Adcock, JA McCammon Journal of Chemical Theory and Computation 1 (3), 484-493, 2005 | 103 | 2005 |
| Acid activation mechanism of the influenza A M2 proton channel R Liang, JMJ Swanson, JJ Madsen, M Hong, WF DeGrado, GA Voth Proceedings of the National Academy of Sciences 113 (45), E6955-E6964, 2016 | 97 | 2016 |
| Multiscale simulation reveals a multifaceted mechanism of proton permeation through the influenza A M2 proton channel R Liang, H Li, JMJ Swanson, GA Voth Proceedings of the National Academy of Sciences 111 (26), 9396-9401, 2014 | 92 | 2014 |
| Hydrated excess protons can create their own water wires Y Peng, JMJ Swanson, S Kang, R Zhou, GA Voth The Journal of Physical Chemistry B 119 (29), 9212-9218, 2015 | 91 | 2015 |
| Coarse-graining in interaction space: A systematic approach for replacing long-range electrostatics with short-range potentials S Izvekov, JMJ Swanson, GA Voth The Journal of Physical Chemistry B 112 (15), 4711-4724, 2008 | 78 | 2008 |
| Proton movement and coupling in the POT family of peptide transporters JL Parker, C Li, A Brinth, Z Wang, L Vogeley, N Solcan, ... Proceedings of the National Academy of Sciences 114 (50), 13182-13187, 2017 | 75 | 2017 |
| Multiscale simulations reveal key features of the proton-pumping mechanism in cytochrome c oxidase R Liang, JMJ Swanson, Y Peng, M Wikström, GA Voth Proceedings of the National Academy of Sciences 113 (27), 7420-7425, 2016 | 73 | 2016 |
| Multiscale simulations reveal key aspects of the proton transport mechanism in the ClC-ec1 antiporter S Lee, JMJ Swanson, GA Voth Biophysical journal 110 (6), 1334-1345, 2016 | 63 | 2016 |
| Intricate Role of Water in Proton Transport through Cytochrome c Oxidase HJ Lee, E Svahn, JMJ Swanson, H Lepp, GA Voth, P Brzezinski, ... Journal of the American Chemical Society 132 (45), 16225-16239, 2010 | 62 | 2010 |
| Dynamic protonation dramatically affects the membrane permeability of drug-like molecules Z Yue, C Li, GA Voth, JMJ Swanson Journal of the American Chemical Society 141 (34), 13421-13433, 2019 | 60 | 2019 |
| Computationally efficient multiscale reactive molecular dynamics to describe amino acid deprotonation in proteins S Lee, R Liang, GA Voth, JMJ Swanson Journal of chemical theory and computation 12 (2), 879-891, 2016 | 59 | 2016 |
| The entropic cost of protein-protein association: a case study on acetylcholinesterase binding to fasciculin-2 DDL Minh, JM Bui, C Chang, T Jain, JMJ Swanson, JA McCammon Biophysical journal 89 (4), L25-L27, 2005 | 57 | 2005 |
| Optimizing the Poisson dielectric boundary with explicit solvent forces and energies: lessons learned with atom-centered dielectric functions JMJ Swanson, JA Wagoner, NA Baker, JA McCammon Journal of Chemical Theory and Computation 3 (1), 170-183, 2007 | 56 | 2007 |
