Jeremy C Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact smithjc@ornl.gov | 865.574.9635 All Publications Transition Networks for the Comprehensive Characterization of Complex Conformational Change in proteins... Insights into the Chemomechanical Coupling of the Myosin Motor from Simulation of Its ATP Hydrolysis Mechanism... Role of 6-glucose-phosphate hydrogenase for oxidative stress and apoptosis... Tight in Titin... Low-Temperature Protein Dynamics: A Simulation Analysis of Interprotein Vibrations and the Boson Peak at 150K... Temperature-Dependent Protein Dynamics: A Simulation-Based Probabilistic Diffusion-Vibration Langevin Description... Enzyme hydration, activity and flexibility : A neutron scattering approach... Can proteins and crystals self-catalyze methyl rotations?... Dynamics of Immobilized and Native Escherichia coli Dihydrofolate Reductase by Quasielastic Neutron Scattering. Biophysical J... SCC-DFTB Energy Barriers for Single and Double Proton Transfer Processes in the Model Molecular Systems Malonaldehyde and Por... High-Density Hydration layer of Lysozyme: Molecular Dynamics Decomposition of Solution Scattering Data... Liquid-like and Solid-like dynamics in crystalline proteins... Density Functional Theory analysis of Dimethylphosphate hydrolysis: effect of solvation and nucleophile variation... Molecular Modeling of O6-Methylguanine-DNA Methyltransferase Mutant Proteins Encoded by Single Nucleotide Polymorphisms... Temperature and timescale dependence of protein dynamics imethanol:water mixtures... The Role of Dynamics in Enzyme Activity... Principal Components of the Protein Dynamical Transition... Convegence in Peptide Folding Simulation: Muliple Trajectories of a Potential AIDs Parmacophore... Neutron Inelasic Scattering as a High-Resolution Vibrational Spectroscopy: Jew 'tool for the study of Protein Dynamics... Use of Computer Simulation in hte Interpretation of Elastic Neutron Scattering in Complex Molecular Systems: A Smal Proein in... Molecular Dynamics Decomposition of Temperature-Dependent Elastic Neutron Scattering by a Protein Solution... Protein Dynamics: Glass Transition and Mechanical Function... Molecular Mechanics Force field Paameterizationn ofhe 'fouorescent Probe Rhodeamine 6G Using Automated Frequency Matching... How well does Charge Reparametrisation Account for solvent Screening in Molecular Calculations? The example of Myosin... Computational Tools for Analusing Structural Changes in Proteins in Solution... Pagination First page « First Previous page ‹‹ … Page 13 Current page 14 Page 15 … Next page ›› Last page Last » Key Links ORCID Organizations Biological and Environmental Systems Science Directorate Biosciences Division