Jeremy C Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact smithjc@ornl.gov | 865.574.9635 All Publications Mechanical Properties of Nanoscopic Lipid Domains... GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers... Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory... Motional displacements in proteins: The origin of wave-vector-dependent values... Monitoring the Folding Kinetics of a β-Hairpin by Time-Resolved IR Spectroscopy in Silico... HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales... Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residu... Mechanism of lignin inhibition of enzymatic biomass deconstruction Multi-Conformer Ensemble Docking to Difficult Protein Targets... The dynamics of single protein molecules is non-equilibrium and self-similar over thirteen decades in time Why Genetic Modification of Lignin Leads to Low-Recalcitrance Biomass... The dynamics of single protein molecules is non-equilibrium and self-similar over thirteen decades in time The Role of Histone Tails in the Nucleosome: A Computational Study... Determination of cellulose crystallinity from powder diffraction diagrams... Hydration Control of the Mechanical and Dynamical Properties of Cellulose... X-ray Structure of a Hg2+ Complex of Mercuric Reductase (MerA) and Quantum Mechanical/Molecular Mechanical Study of Hg2+ Tran... L-arabinose binding, isomerization, and epimerization by D-xylose isomerase: X-ray/neutron crystallographic and molecular sim... Replica-Exchange Molecular Dynamics Simulations of Cellulose Solvated in Water and in the Ionic Liquid 1-Butyl-3-Methylimidaz... Mechanism by which Untwisting of Retinal Leads to Productive Bacteriorhodopsin Photocycle States... Structure and Dynamics of a Compact State of a Multidomain Protein, the Mercuric Ion Reductase... Biomolecular Structure and Dynamics with Neutrons: The View from Simulation... Solvent Friction Effects Propagate over the Entire Protein Molecule through Low-Frequency Collective Modes... Hidden Regularity and Universal Classification of Fast Side Chain Motions in Proteins... Hydrolysis of DFP and the Nerve Agent (S)-Sarin by DFPase Proceeds Along Two Different Reaction Pathways: Implica-tions for E... de Gennes Narrowing Describes the Relative Motion of Protein Domains... Pagination First page « First Previous page ‹‹ … Page 6 Current page 7 Page 8 … Next page ›› Last page Last » Key Links ORCID Organizations Biological and Environmental Systems Science Directorate Biosciences Division