Focus Session: Physics of Proteins II: Folding and Structure

Presentations

• Simulations of the folding/unfolding of biomolecules under solvent, and pressure perturbations

  COFFEE_KLATCH · Invited

  March 1, 2012, 2:30 PM – March 1, 2012, 3:06 PM

  Authors

  • Angel Garcia

    • Rensselaer Polytechnic Institute

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• Accurate prediction of explicit solvent atom distribution in HIV-1 protease and F-ATP synthase by statistical theory of liquids

  ORAL

  March 1, 2012, 3:06 PM – March 1, 2012, 3:18 PM

  Authors

  • Daniel Sindhikara

    • Institute for Molecular Science

  • Norio Yoshida

    • Institute for Molecular Science

  • Fumio Hirata

    • Institute for Molecular Science

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• Analysis and Interpretation of Single Molecule Protein Unfolding Kinetics

  ORAL

  March 1, 2012, 3:18 PM – March 1, 2012, 3:30 PM

  Authors

  • Herbert Lannon

    • New York University

  • Jasna Brujic

    • New York University

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• Investigating protein structure and folding with coherent two-dimensional infrared spectroscopy

  ORAL

  March 1, 2012, 3:30 PM – March 1, 2012, 3:42 PM

  Authors

  • Carlos Baiz

    • Massachusetts Institute of Technology
    • MIT

  • Chunte Sam Peng

    • Massachusetts Institute of Technology
    • MIT

  • Mike Reppert

    • Massachusetts Institute of Technology
    • MIT
    • Department of Chemistry, Massachusetts Institute of Technology

  • Kevin C. Jones

    • Massachusetts Institute of Technology
    • MIT

  • Andrei Tokmakoff

    • Massachusetts Institute of Technology
    • MIT Department of Chemistry
    • MIT

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• Protein Folding and Functional Dynamics

  COFFEE_KLATCH · Invited

  March 1, 2012, 3:42 PM – March 1, 2012, 4:18 PM

  Authors

  • Feng Gai

    • University of Pennsylvania

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• Folding a protein with equal probability of being helix or hairpin

  ORAL

  March 1, 2012, 4:18 PM – March 1, 2012, 4:30 PM

  Authors

  • Chung-Yu Mou

    • National Tsing Hua University, Taiwan, ROC

  • Chun-Yu Lin

    • National Tsing Hua University, Taiwan, ROC

  • Nan-Yow Chen

    • National Center for High-Performance Computing, Taiwan, ROC

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• Generic transition hierarchies of lattice HP protein adsorption: A Wang-Landau study

  ORAL

  March 1, 2012, 4:30 PM – March 1, 2012, 4:42 PM

  Authors

  • Ying Wai Li

    • Center for Simulational Physics, University of Georgia

  • David Landau

    • Center for Simulational Physics, University of Georgia
    • Center for Simulational Physics, University of Georgia, Athens, GA, USA

  • T. W\"{u}st

    • Swiss Federal Research Institute

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• Elucidating Structure and Catalytic Cycles of Anti- or Ferro-magnetic Iron Enzymes from Spin Density Functional Theory

  ORAL

  March 1, 2012, 4:42 PM – March 1, 2012, 4:54 PM

  Authors

  • Jorge H. Rodriguez

    • Department of Physics, Purdue University

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• AWSEM-MD: Coarse-grained Protein Structure Prediction Using Physical Potentials and Bioinformatically Based Local Structure Biasing

  ORAL

  March 1, 2012, 4:54 PM – March 1, 2012, 5:06 PM

  Authors

  • Aram Davtyan

    • University of Maryland at College Park

  • Weihua Zheng

    • University of California at San Diego

  • Nick Schafer

    • University of California at San Diego

  • Cecilia Clementi

    • Rice University

  • Peter Wolynes

    • Rice University

  • Garegin Papoian

    • University of Maryland
    • University of Maryland at College Park
    • The University of Maryland
    • Department of Chemistry and Biochemistry, University of Maryland

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• Combining first principles and replica exchange for the structure of two large peptides: Ac-Ala$_{19}$-LysH$^+$ vs. Ac-LysH$^+$-Ala$_{19}$

  ORAL

  March 1, 2012, 5:06 PM – March 1, 2012, 5:18 PM

  Authors

  • Franziska Schubert

    • Fritz-Haber-Institut der MPG, D-14195 Berlin

  • Mariana Rossi

    • Fritz-Haber-Institut der MPG, D-14195 Berlin

  • Carsten Baldauf

    • Fritz-Haber-Institut der MPG, D-14195 Berlin

  • Volker Blum

    • Fritz-Haber-Institut der MPG, D-14195 Berlin
    • Fritz-Haber-Institut, D-14195 Berlin, Germany

  • Matthias Scheffler

    • Fritz-Haber-Institut der MPG, D-14195 Berlin
    • Fritz-Haber-Institut der MPG
    • Fritz Haber Institute of the Max Planck Society
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft

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• Enhanced Wang Landau Sampling of Adsorbed Protein Conformations

  ORAL

  March 1, 2012, 5:18 PM – March 1, 2012, 5:30 PM

  Authors

  • Mithun Radhakrishna

    • Columbia University

  • Sumit Sharma

    • Princeton University

  • Sanat K. Kumar

    • Department of Chemcial Engineering, Columbia University
    • Columbia University
    • Department of Chemical Engineering, Columbia University

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