Contact Information demerdashon@ornl.gov 865.241.7687 Related Organizations Biological and Environmental Systems Science Directorate Biosciences Division Biocomputing and Information Section Molecular Biophysics Group Omar N Demerdash Liane Russell Distinguished Fellow, Biosciences Division All Publications Accurate prediction of carbon dioxide capture by deep eutectic solvents using quantum chemistry and a neural network... Exploring the role of plant lysin motif receptor-like kinases in regulating plant-microbe interactions in the bioenergy crop ... Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro... Using diverse potentials and scoring functions for the development of improved machine-learned models for protein–ligand af... Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19... Potential pathogenicity determinants identified from structural proteomics of SARS-CoV and SARS-CoV-2... Prediction of peptide binding to MHC using machine learning with sequence and structure-based feature sets... Solution structure of human myeloid-derived growth factor suggests a conserved function in the endoplasmic reticulum... Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disord...
