Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications Identification and Structure–Activity Relationships of Novel Compounds that Potentiate the Activities of Antibiotics in Esc... Community detection in sequence similarity networks based on attribute clustering Dynamical Transition of Collective Motions in Dry Proteins Pickin’ Up Good Vibrations Structure-based design of broadly protective group a streptococcal M protein-based vaccines... Reviving antibiotics: Efflux pump inhibitors that interact with AcrA, a membrane fusion protein of the AcrAB-TolC multidrug e... Structure-based design of broadly protective group a streptococcal M protein-based vaccines The tilt-dependent potential of mean force of a pair of DNA oligomers from all-atom molecular dynamics simulations Quasielastic neutron scattering in biology: Theory and applications Modeling of the Passive Permeation of Mercury and Methylmercury Complexes Through a Bacterial Cytoplasmic Membrane Quasielastic neutron scattering in biology: Theory and applications ... The tilt-dependent potential of mean force of a pair of DNA oligomers from all-atom molecular dynamics simulations Computationally Identified Novel Chemical Compounds that Antagonize FGF-23... Ensemble-based docking: From hit discovery to metabolism and toxicity predictions A Distal Disulfide Bridge in OXA-1 β-Lactamase Stabilizes the Catalytic Center and Alters the Dynamics of the Specificity Determining Ω Loop Determination of functional collective motions in a protein at atomic resolution using coherent neutron scattering Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patt... A Distal Disulfide Bridge in OXA-1 β-Lactamase Stabilizes the Catalytic Center and Alters the Dynamics of the Specificity Determining Ω Loop Modeling Mercury in Proteins... Relative Binding Affinities of Monolignols to Horseradish Peroxidase ... Local Phase Separation of Co-Solvents Enhances Pretreatment of Biomass for Bioenergy Applications Toward quantitatively accurate calculation of the redox-associated acid-base and ligand binding equilibria of aquacobalamin Homolytic Cleavage of Both Heme-Bound Hydrogen Peroxide and Hydrogen Sulfide Leads to the Formation of Sulfheme Evidence for Osteocalcin Binding and Activation of GPRC6A in β-Cells Long‐Range Electrostatics‐Induced Two‐Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site... Pagination First page « First Previous page ‹Ĺ … Page 5 Current page 6 Page 7 … Next page ›ĺ Last page Last » Key Links Organizations Biological and Environmental Systems Science Directorate Biosciences Division
