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Jeremy C Smith
Jeremy C Smith
University of Tennessee Knoxville
Bestätigte E-Mail-Adresse bei ornl.gov
Titel
Zitiert von
Zitiert von
Jahr
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
167382015
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
152401998
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
72072013
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
9602013
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
7301998
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
4662007
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
4602002
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
4402003
Protein dynamics: comparison of simulations with inelastic neutron scattering experiments
JC Smith
Quarterly reviews of biophysics 24 (3), 227-291, 1991
4071991
Ensemble docking in drug discovery
RE Amaro, J Baudry, J Chodera, Ö Demir, JA McCammon, Y Miao, ...
Biophysical journal 114 (10), 2271-2278, 2018
3862018
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
3142020
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
2991996
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
2552008
Translational hydration water dynamics drives the protein glass transition
AL Tournier, J Xu, JC Smith
Biophysical Journal 85 (3), 1871-1875, 2003
2472003
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
2381996
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
2342015
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
2332014
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
2192015
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
2182005
Principal components of the protein dynamical transition
AL Tournier, JC Smith
Physical review letters 91 (20), 208106, 2003
2122003
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