Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications 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... 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 ... 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 Protein dynamics from X-ray crystallography: Anisotropic, global motion in diffuse scattering patterns... Conformational heterogeneity and low-frequency vibrational modes of proteins 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... 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... 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 Transition Networks for the Comprehensive Characterization of Complex Conformational Change in proteins... Low-Temperature Protein Dynamics: A Simulation Analysis of Interprotein Vibrations and the Boson Peak at 150K 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
