Jeremy C Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact smithjc@ornl.gov | 865.574.9635 All Publications Configurational subdiffusion of peptides: A network study... Simulation analysis of the temperature dependence of lignin structure and dynamics... Mercury Detoxification by Bacteria: Simulations of Transcription Activation and Mercury-Carbon Bond Cleavage... Hydrogen-bond driven loop-closure kinetics in unfolded polypeptide chains... QM/MM Analysis of Cellulase Active Sites and Actions of the Enzymes on Substrates... Atomistic Simulation of Lignocellulosic Biomass and Associated Cellulosomal Protein Complexes... Water Pathways in the Bacteriorhodopsin Proton Pump... Activity and dynamics of an enzyme, pig liver esterase, in near-anhydrous conditions... Magnesium-Dependent Active-Site Conformational Selection in the Diels-Alderase Ribozyme... Probing the mechanism of cellulosome attachment to the Clostridium thermocellum cell surface: computer simulation of the Type... Understanding enzyme catalysis using computer simulation... Mechanism of DNA Recognition by the Restriction Enzyme EcoRV... Catalytic Mechanism of Cellulose Degradation by a Cellobiohydrolase, CelS... Paradigm for industrial strain improvement identifies sodium acetate tolerance loci in Zymomonas mobilis and Saccharomyces ce... Peptide partitioning properties from direct insertion studies... Structure and Conformational Dynamics of the Metalloregulator MerR upon Binding of Hg(II)... Temperature Dependence of Protein Dynamics Simulated With Three Different Water Models... A paradigm for strain improvement identifies sodium acetate tolerance loci in Zymomonas mobilis and Saccharomyces cerevisiae... Structure and Conformational Dynamics of the Metalloregulator MerR upon Binding of Hg(II)... Mechanism and kinetics of peptide partitioning into membranes... Theory and Normal Mode Analysis of Change in Protein Vibrational Dynamics on Ligand Binding... Nucleotide-dependence of G-actin conformation from multiple molecular dynamics simulations and observation of a putatively po... Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer... Mechanism of Hg-C Protonolysis in the Organomercurial Lyase MerB... Water molecules in short- and long-distance proton transfer steps of bacteriorhodopsin proton pumping... Pagination First page « First Previous page ‹‹ … Page 9 Current page 10 Page 11 … Next page ›› Last page Last » Key Links ORCID Organizations Biological and Environmental Systems Science Directorate Biosciences Division