Jeremy C Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact smithjc@ornl.gov | 865.574.9635 All Publications Neutron scattering in the biological sciences: progress and prospects... The importance of the membrane interface as the reference state for membrane protein stability... Quantum Mechanical/Molecular Mechanical Analysis of the Catalytic Mechanism of Phosphoserine Phosphatase... High-performance Molecular Dynamics Simulation for Biological and Materials Sciences: Challenges of Performance Portability Molecular-level driving forces in lignocellulosic biomass deconstruction for bioenergy... Quantum Chemical Approach for Calculating Stability Constants of Mercury Complexes... 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 A... 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 Crystallograph... 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-methyl... 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 Mol... 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 facto... Pagination First page « First Previous page ‹‹ … Page 3 Current page 4 Page 5 … Next page ›› Last page Last » Key Links ORCID Organizations Biological and Environmental Systems Science Directorate Biosciences Division