Jeremy C Smith

Jeremy C Smith

Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics

Contact

SMITHJC@ORNL.GOV

All Publications

Mutations in the proximal binding site and F-loop of AdeJ confer resistance to efflux pump inhibitors

Comparative Analysis of TCR and TCR-pMHC Complex Structure Prediction Tools

Deep Learning approaches for Predicting the Surface Tension of Ionic Liquids

Toxic Effects of Butanol in the Plane of the Cell Membrane

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

Oak Ridge National Laboratory'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...