Folgen
Jessica M. J. Swanson
Jessica M. J. Swanson
Bestätigte E-Mail-Adresse bei utah.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
5942004
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
3242007
Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models
J Dzubiella, JMJ Swanson, JA McCammon
Physical review letters 96 (8), 087802, 2006
2022006
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
1622006
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
1242003
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
1082005
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
1062005
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
1052009
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
992016
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
922014
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
912015
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
782008
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
772017
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
742016
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
642016
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
622010
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
612019
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
592016
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
572007
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
572005
Das System kann den Vorgang jetzt nicht ausführen. Versuchen Sie es später erneut.
Artikel 1–20