Jeremy Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact SMITHJC@ORNL.GOV All Publications Additive Manufacturing with Cellulose‐Based Composites: Materials, Modeling, and Applications Physics-Informed Machine Learning to Predict Solvatochromic Parameters of Designer Solvents with Case Studies in CO2 and Lignin Dissolution Macroscale properties and atomic-scale mechanisms of ash removal in low-temperature hydrothermal carbonization Molecular-level design of alternative media for energy-saving pilot-scale fibrillation of nanocellulose Osteocalcin binds to a GPRC6A Venus fly trap allosteric site to positively modulate GPRC6A signaling TCR-H: explainable machine learning prediction of T-cell receptor epitope binding on unseen datasets Structure-Based Identification of Novel Histone Deacetylase 4 (HDAC4) Inhibitors Molecular origins of enhanced bioproduct properties by pretreatment of agricultural residues with deep eutectic solvents Osteocalcin binds to a GPRC6A Venus fly trap allosteric site to positively modulate GPRC6A signaling 91's Strategic Research and Development Insights for Digital Twins High-Throughput Screening and Accurate Prediction of Ionic Liquid Viscosities Using Interpretable Machine Learning... Inhibition of asphaltene aggregation using deep eutectic solvents: COSMO-RS calculations and experimental validation Physics-Based Machine Learning Models Predict Carbon Dioxide Solubility in Chemically Reactive Deep Eutectic Solvents Multiscale investigation of the mechanism of biomass deconstruction in the dimethyl isosorbide/water Co-solvent pretreatment system Atomistic Simulations of Polydisperse Lignin Melts Using Simple Polydisperse Residue Input Generator Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents Drugging the entire human proteome: Are we there yet? Targeted inhibition of MASTL kinase activity induces apoptosis in breast cancer Water molecule ordering on the surface of an intrinsically disordered protein Comparative Assessment of Pose Prediction Accuracy in RNA–Ligand Docking... Patterns in interactions of variably acetylated xylans with hydrophobic cellulose surfaces... Genetic interactions between polycystin-1 and Wwtr1 in osteoblasts define a novel mechanosensing mechanism regulating bone fo... Structural asymmetry in FGF23 signaling Structure-guided design of a broadly cross-reactive multivalent group a streptococcal vaccine Predictive understanding of the surface tension and velocity of sound in ionic liquids using machine learning Pagination Current page 1 Page 2 Page 3 … Next page ›ĺ Last page Last » Key Links Organizations Biological and Environmental Systems Science Directorate Biosciences Division
