Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications Monitoring the Folding Kinetics of a β-Hairpin by Time-Resolved IR Spectroscopy in Silico Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residu... The dynamics of single protein molecules is non-equilibrium and self-similar over thirteen decades in time Mechanism of lignin inhibition of enzymatic biomass deconstruction Multi-Conformer Ensemble Docking to Difficult Protein Targets... The dynamics of single protein molecules is non-equilibrium and self-similar over thirteen decades in time Why Genetic Modification of Lignin Leads to Low-Recalcitrance Biomass... The Role of Histone Tails in the Nucleosome: A Computational Study... Determination of cellulose crystallinity from powder diffraction diagrams... X-ray Structure of a Hg2+ Complex of Mercuric Reductase (MerA) and Quantum Mechanical/Molecular Mechanical Study of Hg2+ Transfer between the C-Terminal and Buried Catalytic Site Cysteine Pairs Hydration Control of the Mechanical and Dynamical Properties of Cellulose Replica-Exchange Molecular Dynamics Simulations of Cellulose Solvated in Water and in the Ionic Liquid 1-Butyl-3-Methylimidaz... Mechanism by which Untwisting of Retinal Leads to Productive Bacteriorhodopsin Photocycle States L-arabinose binding, isomerization, and epimerization by D-xylose isomerase: X-ray/neutron crystallographic and molecular simulation study Biomolecular Structure and Dynamics with Neutrons: The View from Simulation... Structure and Dynamics of a Compact State of a Multidomain Protein, the Mercuric Ion Reductase Solvent Friction Effects Propagate over the Entire Protein Molecule through Low-Frequency Collective Modes... Hydrolysis of DFP and the Nerve Agent (S)-Sarin by DFPase Proceeds Along Two Different Reaction Pathways: Implica-tions for E... Hidden Regularity and Universal Classification of Fast Side Chain Motions in Proteins... Simulation Analysis of the Cellulase Cel7A Carbohydrate Binding Module on the Surface of the Cellulose Iβ de Gennes Narrowing Describes the Relative Motion of Protein Domains... Coarse-Grain Model for Natural Cellulose Fibrils in Explicit Water... Mercury Methylation by HgcA: Theory Supports Carbanion Transfer to Hg(II) Chemical factors that control lignin polymerization Eppur Si Muove! The 2013 Nobel Prize in Chemistry... Pagination First page « First Previous page ‹‹ … Page 7 Current page 8 Page 9 … Next page ›› Last page Last » Key Links ORCID Organizations Biological and Environmental Systems Science Directorate Biosciences Division
