Search Results - "Thompson, Michael C"

Characterization of Intermediate Oxidation States in CO2 Activation by Dodson, Leah G, Thompson, Michael C, Weber, J. Mathias

“…Redox chemistry during the activation of carbon dioxide involves changing the charge state in a CO 2 molecular unit. However, such changes are usually not well…”
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Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico by Broom, Aron, Rakotoharisoa, Rojo V., Thompson, Michael C., Zarifi, Niayesh, Nguyen, Erin, Mukhametzhanov, Nurzhan, Liu, Lin, Fraser, James S., Chica, Roberto A.

“…The creation of artificial enzymes is a key objective of computational protein design. Although de novo enzymes have been successfully designed, these exhibit…”
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Expanding the space of protein geometries by computational design of de novo fold families by Pan, Xingjie, Thompson, Michael C, Zhang, Yang, Liu, Lin, Fraser, James S, Kelly, Mark J S, Kortemme, Tanja

“…Naturally occurring proteins vary the precise geometries of structural elements to create distinct shapes optimal for function. We present a computational…”
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Solvent-Driven Reductive Activation of CO2 by Bismuth: Switching from Metalloformate Complexes to Oxalate Products by Thompson, Michael C., Ramsay, Jacob, Weber, J. Mathias

“…In this work, we investigated how the reductive activation of CO2 with an atomic bismuth model catalyst changes under aprotic solvation. IR photodissociation…”
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Temperature-jump solution X-ray scattering reveals distinct motions in a dynamic enzyme by Thompson, Michael C., Barad, Benjamin A., Wolff, Alexander M., Sun Cho, Hyun, Schotte, Friedrich, Schwarz, Daniel M. C., Anfinrud, Philip, Fraser, James S.

“…Correlated motions of proteins are critical to function, but these features are difficult to resolve using traditional structure determination techniques…”
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The protein shells of bacterial microcompartment organelles by Yeates, Todd O, Thompson, Michael C, Bobik, Thomas A

“…[Display omitted] ► Many bacteria contain protein-based organelles for special metabolic functions. ► The shells of these proteinaceous organelles are…”
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Computational remodeling of an enzyme conformational landscape for altered substrate selectivity by St-Jacques, Antony D., Rodriguez, Joshua M., Eason, Matthew G., Foster, Scott M., Khan, Safwat T., Damry, Adam M., Goto, Natalie K., Thompson, Michael C., Chica, Roberto A.

“…Structural plasticity of enzymes dictates their function. Yet, our ability to rationally remodel enzyme conformational landscapes to tailor catalytic…”
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Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography by Keedy, Daniel A, Kenner, Lillian R, Warkentin, Matthew, Woldeyes, Rahel A, Hopkins, Jesse B, Thompson, Michael C, Brewster, Aaron S, Van Benschoten, Andrew H, Baxter, Elizabeth L, Uervirojnangkoorn, Monarin, McPhillips, Scott E, Song, Jinhu, Alonso-Mori, Roberto, Holton, James M, Weis, William I, Brunger, Axel T, Soltis, S Michael, Lemke, Henrik, Gonzalez, Ana, Sauter, Nicholas K, Cohen, Aina E, van den Bedem, Henry, Thorne, Robert E, Fraser, James S

“…Determining the interconverting conformations of dynamic proteins in atomic detail is a major challenge for structural biology. Conformational heterogeneity in…”
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Advances in methods for atomic resolution macromolecular structure determination [version 1; peer review: awaiting peer review] by Thompson, Michael C, Yeates, Todd O, Rodriguez, Jose A

“…Recent technical advances have dramatically increased the power and scope of structural biology. New developments in high-resolution cryo-electron microscopy,…”
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Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase by Díaz, Roberto Efraín, Ecker, Andrew K, Correy, Galen J, Asthana, Pooja, Young, Iris D, Faust, Bryan, Thompson, Michael C, Seiple, Ian B, Van Dyken, Steven, Locksley, Richard M, Fraser, James S

“…Chitin is an abundant biopolymer and pathogen-associated molecular pattern that stimulates a host innate immune response. Mammals express chitin-binding and…”
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Identification of Isoprene Oxidation Reaction Products via Anion Photoelectron Spectroscopy by Dobulis, Marissa A, Thompson, Michael C, Jarrold, Caroline Chick

“…We present a study on the oxidation of isoprene under several different conditions that may model both atmospheric and combustion chemistry. Anions, formed by…”
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Interaction of CO2 with Atomic Manganese in the Presence of an Excess Negative Charge Probed by Infrared Spectroscopy of [Mn(CO2) n ]− Clusters by Thompson, Michael C, Ramsay, Jacob, Weber, J. Mathias

“…We report infrared photodissociation spectra of manganese–CO2 cluster anions, [Mn­(CO2) n ]− (n = 2–10) to probe structural motifs characterizing the…”
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Identifying and Overcoming Crystal Pathologies: Disorder and Twinning by Thompson, Michael C

“…Macromolecular crystals are prone to a number of pathologies that result from aberrant molecular packing. Two common pathologies encountered in macromolecular…”
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Titanium Insertion into CO Bonds in Anionic Ti–CO2 Complexes by Dodson, Leah G, Thompson, Michael C, Weber, J. Mathias

“…We explore the structures of [Ti­(CO2) y ]− cluster anions using infrared photodissociation spectroscopy and quantum chemistry calculations. The existence of…”
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Structural Motifs of [Fe(CO2) n ]− Clusters (n = 3–7) by Thompson, Michael C, Dodson, Leah G, Weber, J. Mathias

“…We present IR spectra and quantum chemical calculations for anionic iron–CO2 clusters of the form [Fe­(CO2) n ]− (n = 3–7). All observed clusters have at least…”
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Infrared Photodissociation Spectra of [Sn(CO2) n ]− Cluster Ions by Thompson, Michael C, Weber, J. Mathias

“…We present infrared spectra and density functional theory calculations of mass selected [Sn­(CO2) n ]− cluster anions (n = 2–6). The spectra and structures of…”
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Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling by Rakotoharisoa, Rojo V., Seifinoferest, Behnoush, Zarifi, Niayesh, Miller, Jack D.M., Rodriguez, Joshua M., Thompson, Michael C., Chica, Roberto A.

“…The ability to create efficient artificial enzymes for any chemical reaction is of great interest. Here, we describe a computational design method for…”
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The C‑terminal Region of D‑DT Regulates Molecular Recognition for Protein–Ligand Complexes by Parkins, Andrew, Pilien, Aliyah Veronica R., Wolff, Alexander M., Argueta, Christopher, Vargas, Jasmine, Sadeghi, Shahrzad, Franz, Andreas H., Thompson, Michael C., Pantouris, Georgios

“…Systematic analysis of molecular recognition is critical for understanding the biological function of macromolecules. For the immunomodulatory protein…”
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Microfocus diffraction from different regions of a protein crystal: structural variations and unit‐cell polymorphism by Thompson, Michael C., Cascio, Duilio, Yeates, Todd O.

“…Real macromolecular crystals can be non‐ideal in a myriad of ways. This often creates challenges for structure determination, while also offering opportunities…”
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Enhancement of infrared activity by moving electrons through bonds – The case of CO2 anion and carboxylate by Thompson, Michael C., Weber, J. Mathias

“…[Display omitted] •IR photodissociation spectra of CO2− and MCOO− ions are presented (M=H, Ag, Bi).•Intensity ratio of symm. and asymm. CO stretching modes are…”
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