Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications Thye Dynamic Transition in Proteins may have a Simple Explanation Protein Hydration Water: Structure and Thermodynamics... Can the Calculation of Ligand binding free Energies be Improved with Continuum Solvent Electrostatics and an ideal-gas entropy correction? Protein unfolding Transitions in an Intrinsically Unstable Annexin Dompain: Molecular dynamics Simulation and comparison with nuclear Magnetic resonance Data Is The first Hydrational Shell of Lysozyme of Higher Desnity than Bulk Water? Temperature Dependence of Protein Dynamics: Computer Simulation Anaysis of Neutron Scattering Properties SASSIM: A Method for Calculating Small-Angle X-Ray and Neutron Scattering and the Associated Molecular Envelope from Explicit... Solution Structure of a putative HIV1 Immunogenic peptide: Computer simulation of the principal CD4 Binding Domain of gp120 Calculation of Small Angle Scattering Intensities from Molecular Dynamics Simulation Radially Softening Diffusive Motions in a Globular Protein... Dissecting the Vibrational Entropy Change on Protein/Ligand Binding: Burial of a Water Molecule in Bovine Pancreatic Trypsin Inhibitor Protein Folding and Dynamics: New Insights from Computer Simulation and Scattering Experiments S100 Protein-Annexin Interactions: A Model of the (AAnx2-P11)(2) Heterotetramer Complex Dynamic Simulation of the Mouse Prion Protein Atomic Detail Peptide-Membrane Interactions: Molecular Dynamics Simulation of Gramicidin S in a DMPC Bilayer Change in Backbone Torsion Angle Distribution on Protein Folding... Collective Dynamics of a Photosynthetic Protein Probed by Neutron Spin-Echo Spectroscopy and Molecular Dynamics Simulation From Sequence to Structure and Function: Modelling and Simulation of Light-Activated Membrant Proteins Pathway for Large-Scale Conformational Change in Annexin V Enzyme Activity and Dynamics: Xylanase Activity in the Absence of Fast Anharmonic Dynamics... Cryosolvents Useful for Protein and Enzyme Studies below ~100 Degrees C.... Molecular Dynamics Simulations of the Isolated Domain 1 of Annexin I Enzyme Dynamics and Activity: Time-Scale Dependence of Dynamical Transitions in Glutamate Dehydrogenase Solution... The Influence of Helix Morphology on Co-operative Polyamide Backbone Conformational Flexibility in Peptide Nucleic Acid Compl... Simulation Analysis of the Retinal Conformational Equilibrium in Dark-Adapted Bacteriorhodopsin... Pagination First page « First Previous page ‹â¶Ä¹ … Page 15 Current page 16 Page 17 … Next page ›â¶Äº Last page Last » Key Links Organizations Biological and Environmental Systems Science Directorate Biosciences Division
