Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications Quantum Chemistry-Driven Machine Learning Approach for the Prediction of the Surface Tension and Speed of Sound in Ionic Liquids HLA-Clus: HLA class I clustering based on 3D structure SCOMAP-XD: atomistic deuterium contrast matching for small-angle neutron scattering in biology... SARS-CoV2 Billion-Compound Docking Accurate prediction of carbon dioxide capture by deep eutectic solvents using quantum chemistry and a neural network Amphiphilic Co-Solvents Modulate the Structure of Membrane Domains HLA Class I Supertype Classification Based on Structural Similarity Broadband Wide-Angle VElocity Selector (BWAVES) neutron spectrometer designed for the SNS Second Target Station Modeling the partitioning of amphiphilic molecules and co-solvents in biomembranes Hypothesis-Agnostic Network-Based Analysis of Real-World Data Suggests Ondansetron is Associated with Lower COVID-19 Any Cause Mortality Chemical and Morphological Structure of Transgenic Switchgrass Organosolv Lignin Extracted by Ethanol, Tetrahydrofuran, and γ-Valerolactone Pretreatments Identification of Small-Molecule Inhibitors of Fibroblast Growth Factor 23 Signaling via In Silico Hot Spot Prediction and Molecular Docking to α-Klotho Property space mapping of Pseudomonas aeruginosa permeability to small molecules Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation... Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor Novel small molecule FGF23 inhibitors increase serum phosphate and improve skeletal abnormalities in Hyp mice A Model for the Signal Initiation Complex Between Arrestin-3 and the Src Family Kinase Fgr Microbial Membranes: A Challenge for Bioenergy Locking out water at 100°C... Lpp positions peptidoglycan at the AcrA-TolC interface in the AcrAB-TolC multidrug efflux pump Correlated Response of Protein Side-Chain Fluctuations and Conformational Entropy to Ligand Binding Design of Broadly Cross-Reactive M Protein–Based Group A Streptococcal Vaccines Reply To: Insufficient evidence for ageing in protein dynamics Antitumor T-cell Immunity Contributes to Pancreatic Cancer Immune Resistance Tuning Proton Transfer Thermodynamics in SARS-CoV-2 Main Protease: Implications for Catalysis and Inhibitor Design Pagination First page « First Previous page ‹‹ Page 1 Current page 2 Page 3 … Next page ›› Last page Last » Key Links ORCID Organizations Biological and Environmental Systems Science Directorate Biosciences Division
