Jeremy C Smith
Jeremy C Smith
University of Tennessee Knoxville
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Cited by
Cited by
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl
SoftwareX 1, 19-25, 2015
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
AD MacKerell Jr, D Bashford, M Bellott, RL Dunbrack Jr, JD Evanseck, ...
The journal of physical chemistry B 102 (18), 3586-3616, 1998
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
S Pronk, S Páll, R Schulz, P Larsson, P Bjelkmar, R Apostolov, MR Shirts, ...
Bioinformatics 29 (7), 845-854, 2013
The genetic basis for bacterial mercury methylation
JM Parks, A Johs, M Podar, R Bridou, RA Hurt Jr, SD Smith, ...
Science 339 (6125), 1332-1335, 2013
All-atom empirical potential for molecular modeling and dynamics studies of proteins
AD MacKerrell, D Bashford, M Bellott, RL Dunbrack, JD Evanseck, ...
J. Phys. Chem. B 102 (18), 3586-3616, 1998
Hierarchical analysis of conformational dynamics in biomolecules: Transition networks of metastable states
F Noé, I Horenko, C Schütte, JC Smith
The Journal of chemical physics 126 (15), 2007
Is the first hydration shell of lysozyme of higher density than bulk water?
F Merzel, JC Smith
Proceedings of the National Academy of Sciences 99 (8), 5378-5383, 2002
The role of dynamics in enzyme activity
RM Daniel, RV Dunn, JL Finney, JC Smith
Annual review of biophysics and biomolecular structure 32 (1), 69-92, 2003
Protein dynamics: comparison of simulations with inelastic neutron scattering experiments
JC Smith
Quarterly reviews of biophysics 24 (3), 227-291, 1991
Ensemble docking in drug discovery
RE Amaro, J Baudry, J Chodera, Ö Demir, JA McCammon, Y Miao, ...
Biophysical journal 114 (10), 2271-2278, 2018
Repurposing therapeutics for COVID-19: Supercomputer-based docking to the SARS-CoV-2 viral spike protein and viral spike protein-human ACE2 interface
M Smith, JC Smith
Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study
B Roux, M Nina, R Pomes, JC Smith
Biophysical journal 71 (2), 670-681, 1996
Dual function of the hydration layer around an antifreeze protein revealed by atomistic molecular dynamics simulations
DR Nutt, JC Smith
Journal of the American Chemical Society 130 (39), 13066-13073, 2008
Translational hydration water dynamics drives the protein glass transition
AL Tournier, J Xu, JC Smith
Biophysical Journal 85 (3), 1871-1875, 2003
A Model for the Photosystem II Reaction Center Core Including the Structure of the Primary Donor P680,
B Svensson, C Etchebest, P Tuffery, P Van Kan, J Smith, S Styring
Biochemistry 35 (46), 14486-14502, 1996
Mechanism of lignin inhibition of enzymatic biomass deconstruction
JV Vermaas, L Petridis, X Qi, R Schulz, B Lindner, JC Smith
Biotechnology for biofuels 8, 1-16, 2015
Common processes drive the thermochemical pretreatment of lignocellulosic biomass
P Langan, L Petridis, HM O'Neill, SV Pingali, M Foston, Y Nishiyama, ...
Green Chemistry 16 (1), 63-68, 2014
Membrane protein structure, function, and dynamics: a perspective from experiments and theory
Z Cournia, TW Allen, I Andricioaei, B Antonny, D Baum, G Brannigan, ...
The Journal of membrane biology 248, 611-640, 2015
Structural mechanism of the recovery stroke in the myosin molecular motor
S Fischer, B Windshügel, D Horak, KC Holmes, JC Smith
Proceedings of the National Academy of Sciences 102 (19), 6873-6878, 2005
Principal components of the protein dynamical transition
AL Tournier, JC Smith
Physical review letters 91 (20), 208106, 2003
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