Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications Orientation Preferences of Backbone Secondary Amide Functional Groups in Peptide Nucleic Acid Complexes: Quantum Chemical Cal... Orientation Preferences of Backbone Secondary Amide Functional Groups in Peptide Nucleic Acid Complexes: Quantum Chemical Cal... Orientation Preferences of Backbone Secondary Amide Functional Groups in Peptide Nucleic Acid Complexes: Quantum Chemical ... Computer simulations of local anesthetic mechanisms: Quantum chemical investigation of procaine Differential Effects of Cholesterol, Ergosterol and Lanosterol on a Dipalmitoyl Phosphatidylcholine (DPPC) membrane: A Molecu... Differential Effects of Cholesterol, Ergosterol and Lanosterol on a Dipalmitoyl Phosphatidylcholine (DPPC) membrane: A Molecu... Differential Effects of Cholesterol, Ergosterol and Lanosterol on a Dipalmitoyl Phosphatidylcholine (DPPC) membrane: A Molecu... Protein Dynamics from X-ray Crystallography: Anisotropic, Global motion in Diffuse Scattering Patterns Hierarchical analysis of conformational dynamics in biomolecules: Transition networks of metastable states The principal motions involved in the coupling mechanism of the recovery stroke of the myosin motor... Protein dynamics from X-ray crystallography: Anisotropic, global motion in diffuse scattering patterns... Protein dynamics from X-ray crystallography: Anisotropic, global motion in diffuse scattering patterns... Conformational heterogeneity and low-frequency vibrational modes of proteins Suppression of the back proton-transfer from Asp85 to the retinal Schiff base in bacteriorhodopsin: A theoretical analysis of structural elements Suppression of the back proton-transfer from Asp85 to the retinal Schiff base in bacteriorhodopsin: A theoretical analysis of... Simulations of the myosin II motor reveal a nucleotide-state sensing element that controls the recovery stroke Computing Best Transition Pathways in High-Dimensional Dynamical Systems: Application to the αL β αR Trans... AM1/d parameters for Magnesium in Metalloenzymes. Journal of Chemical Theory and Computation... Structural and energetic determinants of proton transfer in bacteriorhodopsin Analyzing Large-Scale Structural Change in Proteins: Comparison of Principal Component Projection and Sammon Mapping... 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 Pagination First page « First Previous page ‹â¶Ä¹ … Page 13 Current page 14 Page 15 … Next page ›â¶Äº Last page Last » Key Links Organizations Biological and Environmental Systems Science Directorate Biosciences Division
