Jerry M Parks Group Leader, Molecular Biophysics Contact parksjm@ornl.gov | 865.574.9259 All Publications Comparative Informatics Analysis to Evaluate Site-Specific Protein Oxidation in Multidimensional LC-MS/MS Data ... Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogs... Cluster-Continuum Calculations of Hydration Free Energies of Anions and Group 12 Divalent Cations... Down-regulation of the Caffeic acid O-methyltransferase Gene in Switchgrass Reveals a Novel Monolignol Analog... Molecular Simulation in the Energy Biosciences... Molecular simulation as a tool for studying lignin... Benchmark interaction energies for biologically relevant noncovalent complexes containing divalent sulfur... Mutant alcohol dehydrogenase leads to improved ethanol tolerance in Clostridium thermocellum... Structural characterization of intramolecular Hg2+ transfer between flexibly-linked domains of mercuric ion reductase... Mercury Detoxification by Bacteria: Simulations of Transcription Activation and Mercury-Carbon Bond Cleavage... Understanding enzyme catalysis using computer simulation... Structure and Conformational Dynamics of the Metalloregulator MerR upon Binding of Hg(II)... Structure and Conformational Dynamics of the Metalloregulator MerR upon Binding of Hg(II)... Mechanism of Hg-C Protonolysis in the Organomercurial Lyase MerB... Pagination First page « First Previous page ‹‹ … Page 3 Page 4 Current page 5 Key Links Curriculum Vitae Google Scholar ORCID LinkedIn Organizations Biological and Environmental Systems Science Directorate Biosciences Division Biocomputing and Information Section Molecular Biophysics Group