Russ B Davidson Contact davidsonrb@ornl.gov All Publications Predicted structural proteome of Sphagnum divinum and proteome-scale annotation... tinyIFD: A High-Throughput Binding Pose Refinement Workflow Through Induced-Fit Ligand Docking Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2... Toward designing effective exascale scientific computing workflows: experiences and best practices... Core cysteine residues in the Plasminogen-Apple-Nematode (PAN) domain are critical for HGF/c-MET signaling... HPC Molecular Simulation Tries Out a New GPU: Experiences on Early AMD Test Systems for the Frontier Supercomputer... OpenMDlr: Parallel, open-source tools for general protein structure modeling and refinement from pairwise distances... Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer... Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor... Modeling protein structures from predicted contacts with modern molecular dynamics potentials: accuracy, sensitivity, and ref... Key Links ORCID
