Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications Jörg Langowski: his scientific legacy and the future it promises Dynamics of the lignin glass transition Dynamic Neutron Scattering by Biological Systems Quantum Chemical Calculation of pKas of Environmentally Relevant Functional Groups: Carboxylic Acids, Amines, and Thiols in Aqueous Solution Determination of Dynamical Heterogeneity from Dynamic Neutron Scattering of Proteins Impact of hydration and temperature history on the structure and dynamics of lignin Catalysis of Ground State cis→ trans Isomerization of Bacteriorhodopsin’s Retinal Chromophore by a Hydrogen-Bond Network... Ensemble Docking in Drug Discovery Temperature-dependent phase behaviour of tetrahydrofuran–water alters solubilization of xylan to improve co-production of f... GPCR6A Is a Molecular Target for the Natural Products Gallate and EGCG in Green Tea "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation Cellulose–hemicellulose interactions at elevated temperatures increase cellulose recalcitrance to biological conversion "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation Relationship between lignocellulosic biomass dissolution and physicochemical properties of ionic liquids composed of 3-methylimidazolium cations and carboxylate anions Effects of carotenoids on lipid bilayers Impact of hydration and temperature history on the structure and dynamics of lignin Organosolv-Water Cosolvent Phase Separation on Cellulose and its Influence on the Physical Deconstruction of Cellulose: A Molecular Dynamics Analysis Polycystin-1 interacts with TAZ to stimulate osteoblastogenesis and inhibit adipogenesis Ensemble docking to difficult targets in early‐stage drug discovery: Methodology and application to fibroblast growth factor 23 Dynamics of water bound to crystalline cellulose Modeling of the Passive Permeation of Mercury and Methylmercury Complexes Through a Bacterial Cytoplasmic Membrane Dynamics at a Peptide–TiO2 Anatase (101) Interface Community detection in sequence similarity networks based on attribute clustering Dynamical Transition of Collective Motions in Dry Proteins Community detection in sequence similarity networks based on attribute clustering Pagination First page « First Previous page ‹‹ … Page 4 Current page 5 Page 6 … Next page ›› Last page Last » Key Links ORCID Organizations Biological and Environmental Systems Science Directorate Biosciences Division
