Jerry Parks Group Leader, Molecular Biophysics Contact PARKSJM@ORNL.GOV All Publications Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2 AF2Complex predicts direct physical interactions in multimeric proteins with deep learning β-Barrel proteins tether the outer membrane in many Gram-negative bacteria Targeted isolation and cultivation of uncultivated bacteria by reverse genomics... Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crysta... The Genetic and Enzymatic Basis of Bacterial Mercury Methylation... Mutant alcohol dehydrogenase leads to improved ethanol tolerance in Clostridium thermocellum... Engineered enzymatic cascade converts diols to amino alcohols S-adenosyl-L-methionine is the unexpected methyl donor for the methylation of mercury by the membrane-associated HgcAB complex Molecular origins of enhanced bioproduct properties by pretreatment of agricultural residues with deep eutectic solvents Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase Predicted structural proteome of Sphagnum divinum and proteome-scale annotation Conformational restriction shapes the inhibition of a multidrug efflux adaptor protein... HLA-Clus: HLA class I clustering based on 3D structure Transcriptional Control of hgcAB by an ArsR-Like Regulator in Pseudodesulfovibrio mercurii ND132 HLA Class I Supertype Classification Based on Structural Similarity Analysis of Orthogonal Efflux and Permeation Properties of Compounds Leads to the Discovery of New Efflux Pump Inhibitors An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction Core cysteine residues in the Plasminogen-Apple-Nematode (PAN) domain are critical for HGF/c-MET signaling OpenMDlr: Parallel, open-source tools for general protein structure modeling and refinement from pairwise distances Property space mapping of Pseudomonas aeruginosa permeability to small molecules Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor Pretreatment with Sodium Methyl Mercaptide Increases Carbohydrate Yield during Kraft Pulping Modeling protein structures from predicted contacts with modern molecular dynamics potentials: accuracy, sensitivity, and refinement Lpp positions peptidoglycan at the AcrA-TolC interface in the AcrAB-TolC multidrug efflux pump Pagination Current page 1 Page 2 Page 3 … Next page ›› Last page Last » Key Links Curriculum Vitae Google Scholar ORCID LinkedIn Organizations Biological and Environmental Systems Science Directorate Biosciences Division Biocomputing and Information Section Molecular Biophysics Group
