Jeremy C Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact smithjc@ornl.gov | 865.574.9635 All Publications Water molecules in short- and long-distance proton transfer steps of bacteriorhodopsin proton pumping... Mechanism of a proton pump analyzed with computer simulations... A molecular mechanics force field for lignin... Instantaneous Normal Modes and the Protein Glass Transition... Instantaneous Normal Modes and the Protein Glass Transition... Instantaneous Normal Modes and the Protein Glass Transition... Protein Dynamics and Stability: The Distribution of Atomic Fluctuations in Thermophilic and Mesophilic Dihydrofolate Reductas... Key Role of Active-Site Water Molecules in Bacteriorhodopsin Proton-Transfer Reactions... Packing Density of the Erythropoietin Receptor Transmembrane Domain Correlates with Amplification of Biological Responses... Function of the hydration layer around an antifreeze protein revealed by atomistic molecular dynamics simulations... Charge based interactions between peptides observed as the dominant force for association in aqueous solution... Charge-based interactions between peptides observed as the dominant force for association in aqueous solution... Partitioning of amino-acid analogues in a five-slab membrane model... REACH Coarse-Grained Biomolecular Simulation: Transferability between Different Protein Structural Classes... Solvent Electrostriction-Driven Peptide Folding Revealed by Quasi Gaussian Entropy Theory and Molecular Dynamics Simulation... Cellulosic ethanol: progress towards a simulation model of lignocellulosic biomass... Cellulosic ethanol: progress towards a simulation model of lignocellulosic biomass; ... Solvent Electrostriction Driven Peptide Folding revealed by Quasi-Gaussian Entropy Theory and Molecular Dynamics Simulation... Methyl group dynamics and the onset of anharmonicity in myoglobin... Subdiffusion in peptides originates from the fractal-like structure of configuration space... Methyl Group Dynamics and the Onset of Anharmonicity in Myoglobin... Subdiffusion in Peptides Originates from the Fractal-Like Structure of Configuration Space... Coarse-Grained Biomolecular Simulation: Transferability between Different Protein Structural Classes... Hydration-dependent dynamical transition in protein: Protein interactions at approximate to 240 k... Hydration-Dependent Dynamical Transition in Protein: Protein Interactions at 240 K... Pagination First page « First Previous page ‹‹ … Page 10 Current page 11 Page 12 … Next page ›› Last page Last » Key Links ORCID Organizations Biological and Environmental Systems Science Directorate Biosciences Division