Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications Structural Modeling of the Pro-Ocytocin-Neurophysin Precursor Oxidation of Tetrahydro-Carboline by Cytochrome 450: Determination and Rationalisation of Product Distribution Nanosecond Protein Dynamics: First Detection of a Neutron Incoherent Spin-Echo Signal... Dynamics of Alkane Chains Included in an Organic Matrix: Molecular Dynamics Simulation and Comparison with Neutron Scattering Experiment Modelling and Simulation of Light-Activated Membrane Proteins: Dynamical Transitions in Bacteriorhodopsin Enzyme Activity Below the Dynamical Transition at 220 K... All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins... Motions in Native and Denatured Proteins... Excluded Volume in the Configurational Distribution of a Strongly-Denatured Protein X-Ray Diffuse Scattering and Rigid-Body Motion in Crystalline Lysozyme Probed by Molecular Dynamics Simulation... Picosecond Dynamical Changes on Denaturation of Yeast Phosphoglycerate Kinase Revealed by Quasielastic Neutron Scattering Fuctuation and Correlation in Crystalline Lysozyme... Quantum Chemical and Free Energy Simulation Analysis of Retinal Conformational Energetics... Simulation of Collective Dynamics of n-Nonadecane in the Urea Inclusion Compound Dynamics of Biomolecules: Simulation Versus X-Ray and Far-Infrared Experiments... Structure of Human Annexin I: Comparison of Homology Modelling and Crystallographic Experiment... Dynamics of Biomolecules: Simulation Versus X-Ray and Far-Infrared Experiments High-Resolution Vibrational Inelastic Neutron Scattering: A New Spectroscopic Tool for Globular Proteins... Simulation Evidence for Experimentally Detectable Low-Temperature Vibrational Inhomogeneity in a Globular Protein... Thermodynamic Stability of Water Molecules in the Bacteriorhodopsin Proton Channel: a Molecular Dynamics Free Energy Perturbation Study A Model for the Photosystem II Reaction Center Core Including the Structure of the Primary Donor P680... Molecular Dynamics simulation of N-Nonadecane in Urea Inclusion Compound. II. Rotational Distribution and Elastic Incoherent ... Molecular Dynamics Analysis of Charge Fluctuations Associated with Far-Infrared Absorption in Water Pathways for Confromational Change in Seryl-tRNA Synthetase from Thermus Thermophilus... Denaturation of Truncated Staphylococcal Nuclease in Molecular Dynamics Simulation at 300 K Pagination First page « First Previous page ‹â¶Ä¹ … Page 16 Current page 17 Page 18 … Next page ›â¶Äº Last page Last » Key Links Organizations Biological and Environmental Systems Science Directorate Biosciences Division
