Jerry Parks Group Leader, Molecular Biophysics Contact 865.574.9259 | 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... 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 Mechanistic Duality of Bacterial Efflux Substrates and Inhibitors: Example of Simple Substituted Cinnamoyl and Naphthyl Amides Pagination Current page 1 Page 2 Page 3 … Next page ›â¶Äº Last page Last » Key Links Curriculum Vitae Organizations Biological and Environmental Systems Science Directorate Biosciences Division Biocomputing and Information Section Molecular Biophysics Group
