Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications Temperature-Dependent Protein Dynamics: A Simulation-Based Probabilistic Diffusion-Vibration Langevin Description Enzyme hydration, activity and flexibility : A neutron scattering approach... Dynamics of Immobilized and Native Escherichia coli Dihydrofolate Reductase by Quasielastic Neutron Scattering. Biophysical J... Can proteins and crystals self-catalyze methyl rotations? 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... Molecular Modeling of O6-Methylguanine-DNA Methyltransferase Mutant Proteins Encoded by Single Nucleotide Polymorphisms Temperature and timescale dependence of protein dynamics imethanol:water mixtures... Density Functional Theory analysis of Dimethylphosphate hydrolysis: effect of solvation and nucleophile variation The Role of Dynamics in Enzyme Activity... Principal Components of the Protein Dynamical Transition... Neutron Inelasic Scattering as a High-Resolution Vibrational Spectroscopy: Jew 'tool for the study of Protein Dynamics Convegence in Peptide Folding Simulation: Muliple Trajectories of a Potential AIDs Parmacophore... Use of Computer Simulation in hte Interpretation of Elastic Neutron Scattering in Complex Molecular Systems: A Smal Proein in Various Envrironments Molecular Dynamics Decomposition of Temperature-Dependent Elastic Neutron Scattering by a Protein Solution... Protein Dynamics: Glass Transition and Mechanical Function... How well does Charge Reparametrisation Account for solvent Screening in Molecular Calculations? The example of Myosin Molecular Mechanics Force field Paameterizationn ofhe 'fouorescent Probe Rhodeamine 6G Using Automated Frequency Matching... Computational Tools for Analusing Structural Changes in Proteins in Solution Energy Resolution and Dynamical Heterogeneity Effects on Elastic Incoherent Neurton Scattering from Molecular Systems Molecular Dynamics Simulation Reveals a Surface Salt Bridge Forming a Kinetic Trap in Unfolding of Trunated Straphylococcal Nuclease Solvent Caging of Internal Motions in Myoglobin at low Temperatures Detection of Individual p53-Autoantibodies by Using Quenched Peptide-Based Molecular Probes... Translational Hydration Water Dunamics Drives the Protein Glass Transition Pagination First page « First Previous page ‹â¶Ä¹ … Page 14 Current page 15 Page 16 … Next page ›â¶Äº Last page Last » Key Links Organizations Biological and Environmental Systems Science Directorate Biosciences Division
