Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications Structure and Dynamics of Biological Systems: Integration of Neutron Scattering with Computer Simulation The solvation structures of cellulose microfibrils in ionic liquids ... Response of water to electric fields at temperatures below the glass transition: A molecular dynamics analysis... Simulation Analysis of the Temperature Dependence of Lignin Structure and Dynamics... Three Classes of Motion in the Dynamic Neutron-Scattering Susceptibility of a Globular Protein Small-angle neutron scattering reveals a pH-dependent conformational change in cellobiohydrolase I... Structural characterization of intramolecular Hg2+ transfer between flexibly-linked domains of mercuric ion reductase... Mutant alcohol dehydrogenase leads to improved ethanol tolerance in Clostridium thermocellum... Mutant alcohol dehydrogenase leads to improved ethanol tolerance in Clostridium thermocellum Role of Magnesium Ions in DNA Recognition by the EcoRV Restriction Endonuclease... Structural Modeling and Molecular Dynamics Simulation of the Actin Filament... Small-Angle Neutron Scattering Reveals pH-Dependent Conformational Changes in Trichoderma reesei Cellobiohydrolase I: Implications for Enzymatic Activity Self-similar multiscale structure of lignin revealed by neutron scattering and molecular dynamics simulation... Molecular Origin of Gerstmann-Sträussler-Scheinker Syndrome: Insight from Computer Simulation of an Amyloidogenic Prion Pept... Self-similar multiscale structure of lignin revealed by neutron scattering and molecular dynamics simulation Vibrational Softening of a Protein on Ligand Binding Optimal Use of Data in Parallel Tempering Simulations for the Construction of Discrete-State Markov Models of Biomolecular Dy... Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using hi... Functional Domain Motions in Proteins on the ∼1–100 ns Timescale: Comparison of Neutron Spin-Echo Spectroscopy of Phosphoglycerate Kinase with Molecular-Dynamics Simulation Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic expe... 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... Pagination First page « First Previous page ‹â¶Ä¹ … Page 9 Current page 10 Page 11 … Next page ›â¶Äº Last page Last » Key Links Organizations Biological and Environmental Systems Science Directorate Biosciences Division
