Metalloenzymes: Structure and Function

Presentations

• Experimental Studies of Structure, Function, and Coherent Oscillations in Biomolecules

  COFFEE_KLATCH · Invited

  March 22, 2005, 11:30 AM – March 22, 2005, 12:06 PM

  Authors

  • Paul Champion

    • Northeastern University, Boston MA 02115

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• Investigations of the low frequency modes of Fe-porphyrin systems and perturbations induced by axial ligation

  ORAL

  March 22, 2005, 12:06 PM – March 22, 2005, 12:18 PM

  Authors

  • Flaviu Gruia

  • Xiong Ye

  • Paul Champion

    • Northeastern University

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• Quantitative Vibrational Dynamics of Iron in Porphyrins

  ORAL

  March 22, 2005, 12:18 PM – March 22, 2005, 12:30 PM

  Authors

  • Bogdan M. Leu

    • Northeastern University, Boston, MA

  • Marek Z. Zgierski

    • National Research Council of Canada

  • Graeme R. A. Wyllie

  • Nathan Silvernail

  • W. Robert Scheidt

    • University of Notre Dame, Notre Dame, IN

  • Wolfgang Sturhahn

  • Ercan E. Alp

    • Argonne National Laboratory, Argonne, IL

  • Stephen M. Durbin

    • Purdue University, West Lafayette, IN

  • J. Timothy Sage

    • Northeastern University, Boston, MA

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• First-Principles Hartree-Fock Investigation of Electronic Structure and Hyperfine Properties of Deoxyhemoglobin

  ORAL

  March 22, 2005, 12:30 PM – March 22, 2005, 12:42 PM

  Authors

  • K. Ramani Lata

  • R. H. Scheicher (*)

  • N. Sahoo (**)

  • T. P. Das (***)

    • Dept. of Physics, SUNY at Albany, NY

  • S. Byahut

    • Central Dept. Of Physics, Tribhuvan University, Kathmandu, Nepal

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• Time-resolved heme protein intermediates

  COFFEE_KLATCH · Invited

  March 22, 2005, 12:42 PM – March 22, 2005, 1:18 PM

  Authors

  • Denis Rousseau

    • Albert Einstein College of Medicine

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• Density Functional Theory / Nudged Elastic Band Investigation of the Hydroxylation Reaction Mechanism Catalyzed by P450cam

  ORAL

  March 22, 2005, 1:18 PM – March 22, 2005, 1:30 PM

  Authors

  • Montiago LaBute

    • Theoretical Division, Los Alamos National Laboratory

  • Graeme Henkelman

    • Department of Chemistry, University of Texas at Austin

  • Benjamin McMahon

    • Theoretical Division, Los Alamos National Laboratory

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• Models of the photosynthetic oxygen-evolving centerand electronic structure of Mn clusters

  ORAL

  March 22, 2005, 1:30 PM – March 22, 2005, 1:42 PM

  Authors

  • Gabriel Drobny

  • Michal Bajdich

  • L. Mitas

    • Center for High Performance Simulation and Department of Physics, North Carolina State University
    • North Carolina State University
    • Department of Physics, North Carolina State University, Raleigh, NC 27695

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• Pre-Crystallization State of Ferritin at Low Temperature

  ORAL

  March 22, 2005, 1:42 PM – March 22, 2005, 1:54 PM

  Authors

  • Sebastien Boutet

  • Ian Robinson

    • University of Illinois at Urbana-Champaign

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• Ab initio studies of [Fe$_{4}$S$_{4}$]$ ^{2+/3+}$ clusters in metalloprotein MutY

  ORAL

  March 22, 2005, 1:54 PM – March 22, 2005, 2:06 PM

  Authors

  • Jong-Chin Lin

  • Daniel Cox

  • Rajiv Singh

    • U.C. Davis
    • UC Davis
    • Department of Physics, U.C. Davis

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