Structural and Computational Biology Research Focus Area
Researchers in this focus area probe molecular structure to understand binding and catalysis by biological molecules and design or discover new ligands to enhance or suppress function, for biomedical and biotechnology applications. X-ray crystallography, nuclear magnetic and electron paramagnetic resonance, visual spectroscopy, fluorescence and visual microscopy, circular dichroism, confocal laser scanning microscopy, computational and mathematical modeling, mass spectrometry, organic synthesis, and recombinant DNA techniques are among the broad range of methods used.
Faculty and their Specializations | ||
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Computational Modeling Michael Feig: Dynamics of proteins & nucleic acids, structure prediction, implicit solvent, coarse graining Shelagh Ferguson-Miller Leslie A. Kuhn: Development & drug-discovery applications of docking, screening, and flexibility modeling Denis A. Proshlyakov: Inhomogeneous kinetics of metalloproteins; global multidimensional regression analysis William Wedemeyer Honggao Yan: Integrative study of protein structure, function, and dynamics using biochemical, biophysical (multidimensional NMR and crystallography), and computational methods Zachary F. Burton: Nanosecond to second functional dynamics of multi-subunit RNA polymerases
Jennifer Ekstrom: Protein structural analysis using X-ray crystallography Shelagh Ferguson-Miller: R. Michael Garavito: Structure and function of membrane proteins; glycosyltransferase function and biosynthesis of glycolipids; receptor structure and function; protein crystallography Robert P. Hausinger: Diversity and mechanisms of Fe(II)/alpha-ketoglutarate dioxygenases Eric Hegg: Heme biosynthesis; metalloenzymology of O2 activation and H2 production (role of metal ions) Charles Hoogstraten: The role of structure and dynamics in RNA catalysis and RNA-protein interactions. Laurie S. Kaguni: Structural enzymology and computational modeling of mitochondrial replication and transcription proteins and complexes Lee R. Kroos: Structure and function of membrane proteases and transcription factors Min-Hao Kuo: Methodology development for producing selectively modified proteins for biochemical and functional characterization. Lipid synthesis and metabolism for biofuel production. Aizhuo Liu: NMR studies of structure, dynamics, function and molecular interaction of proteins Denis A. Proshlyakov: Vibrational, electronic spectroscopy of metals, ligands and redox-active residues in active sites Claire Vieille: Structure, function, stability mechanisms, and applications of proteins from hyperthermophiles William Wedemeyer Honggao Yan: Integrative study of protein structure, function, and dynamics using biochemical, biophysical (multidimensional NMR and crystallography), and computational methods |
Membranes & Membrane Proteins Barbara Atshaves: Structure and function of proteins associated with lipid storage (lipid droplets) and oxidation (mitochondria, peroxisomes)
Christoph Benning: Structure and function of enzymes and membrane transporters involved in lipid biosynthesis Michael Feig: Dynamics of membrane-bound peptides (phospholamban, fusion peptides) and membrane-bound transporters and channels, development of implicit membrane model Shelagh Ferguson-Miller R. Michael Garavito: Structure and function of membrane proteins; glycosyltransferase function and biosynthesis of glycolipids; receptor structure and function; protein crystallography Eric Hegg: Expression and purification of membrane proteins; transport across membranes Rawle I. Hollingsworth Kenneth Keegstra: Structure and function of glycosyltransferases involved in plant cell wall biosynthesis Lee R. Kroos: Structure and function of membrane proteases and transcription factors Leslie A. Kuhn: Analysis of flexibility and regulation of cytochrome c oxidase by ligand binding Aizhuo Liu: NMR studies of structure, dynamics, function and molecular interaction of proteins Denis A. Proshlyakov: Spectroscopy and electrochemistry of redox proteins in lipid vesicles and supported membranes X-ray Crystallography, NMR & Mass Spectrometry Jennifer Ekstrom: Protein structural analysis using X-ray crystallography Shelagh Ferguson-Miller R. Michael Garavito: Structure and function of membrane proteins; glycosyltransferase function and biosynthesis of glycolipids; receptor structure and function; protein crystallography Charles Hoogstraten: The role of structure and dynamics in RNA catalysis and RNA-protein interactions. A. Daniel Jones Aizhuo Liu: NMR studies of structure, dynamics, function and molecular interaction of proteins Markus Pauly: Oligosaccharide mass profiling (OLIMP) of plant cell wall polymers Gavin E. Reid: Bioanalytical mass spectrometry and gas-phase ion chemistry studies of biological molecules: proteomics and lipidomics William Wedemeyer |
X-ray Crystallography, NMR & Mass Spectrometry (continued) Honggao Yan:Integrative study of protein structure, function, and dynamics using biochemical, biophysical (multidimensional NMR and crystallography), and computational methods
Structure-Function Studies
Barbara Atshaves: Study of protein-lipid interactions across membranes (plasma membrane, lipid droplet monolayer) Zachary F. Burton: Nanosecond to second functional dynamics of multi-subunit RNA polymerases Dean DellaPenna Jennifer Ekstrom: Protein structural analysis using X-ray crystallography Michael Feig: Mechanistic studies of DNA mismatch repair (MutS), transcription by RNA polymerase, and regulation of Ca2+ transport by Ca2+-ATPase Shelagh Ferguson-Miller R. Michael Garavito: Structure and function of membrane proteins; glycosyltransferase function and biosynthesis of glycolipids; receptor structure and function; protein crystallography Brian B. Haab Robert P. Hausinger: Structures and functions of accessory proteins involved in urease activation Eric Hegg: Mechanism of heme biosynthesis and H2 production; how protein structure affects O2 activation, H2 production, and H+ transport Charles Hoogstraten: The role of structure and dynamics in RNA catalysis and RNA-protein interactions Laurie S. Kaguni: Structural enzymology and computational modeling of mitochondrial replication and transcription proteins and complexes Lee R. Kroos: Structure and function of membrane proteases and transcription factors Leslie A. Kuhn: Peptide & protein structure prediction and effects of ligands on flexibility & function Min-Hao Kuo: Functional and mechanistic studies of chromatin structures, modifications, and regulation of mitosis. Aizhuo Liu: NMR studies of structure, dynamics, function and molecular interaction of proteins Jack Preiss: Study of the biochemistry and molecular biology of enzymes involved in synthesis of plant starch and bacterial glycogen synthesis Denis A. Proshlyakov: Vibrational, electronic spectroscopy of metals, ligands and redox-active residues in active sites Claire Vieille: Structure, function, stability mechanisms, and applications of proteins from hyperthermophiles William Wedemeyer Honggao Yan: Integrative study of protein structure, function, and dynamics using biochemical, biophysical (multidimensional NMR and crystallography), and computational methods |
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