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Jeremy C Smith
Jeremy C Smith
University of Tennessee Knoxville
Verified email at ornl.gov
Title
Cited by
Cited by
Year
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
160972015
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
151311998
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
71682013
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
9362013
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
7361998
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
4632007
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
4552002
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
4422003
Protein dynamics: comparison of simulations with inelastic neutron scattering experiments
JC Smith
Quarterly reviews of biophysics 24 (3), 227-291, 1991
4011991
Ensemble docking in drug discovery
RE Amaro, J Baudry, J Chodera, Ö Demir, JA McCammon, Y Miao, ...
Biophysical journal 114 (10), 2271-2278, 2018
3782018
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
3132020
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
2971996
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
2512008
Translational hydration water dynamics drives the protein glass transition
AL Tournier, J Xu, JC Smith
Biophysical Journal 85 (3), 1871-1875, 2003
2452003
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
2421996
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
2282015
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
2262014
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
2162005
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
2122015
Principal components of the protein dynamical transition
AL Tournier, JC Smith
Physical review letters 91 (20), 208106, 2003
2122003
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Articles 1–20