Focus Session: Theories and Simulations for Biomolecular Dynamics in Cell-like Environments

Presentations

• Biochemistry on a leash: Confinement as a regulatory mechanism for bimolecular reaction rates

  ORAL

  March 17, 2009, 2:30 PM – March 17, 2009, 2:42 PM

  Authors

  • Daniel Reeves

    • Brandeis University

  • Keith Cheveralls

    • Brandeis University

  • Jane Kondev

    • Brandeis University

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• Crowded, cell-like environment induces shape changes in aspherical protein

  COFFEE_KLATCH · Invited

  March 17, 2009, 2:42 PM – March 17, 2009, 3:18 PM

  Authors

  • Margaret Cheung

    • University of Houston

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• Molecular dynamics simulation study of multimerization of the Mms6 protein from Magnetospirillum magneticum strain AMB-1

  ORAL

  March 17, 2009, 3:18 PM – March 17, 2009, 3:30 PM

  Authors

  • Monica Lamm

    • Iowa State University and Ames Laboratory

  • Rastko Sknepnek

    • Iowa State University and Ames Laboratory
    • Ames Laboratory and Department of Physics and Astronomy, Iowa State University

  • Lijun Wang

    • Iowa State University and Ames Laboratory

  • Marit Nilsen-Hamilton

    • Iowa State University and Ames Laboratory

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• The Packing of Flexible Screws and the Self-Limited Assembly of Biopolymer Bundles

  COFFEE_KLATCH · Invited

  March 17, 2009, 3:30 PM – March 17, 2009, 4:06 PM

  Authors

  • Gregory Grason

    • University of Massachusetts, Amherst

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• Simulation of signal transduction in model multiprotein systems

  ORAL

  March 17, 2009, 4:06 PM – March 17, 2009, 4:18 PM

  Authors

  • Julius Su

    • Caltech

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• Implicit solvent model for linear-scaling first-principles electronic structure calculations

  ORAL

  March 17, 2009, 4:18 PM – March 17, 2009, 4:30 PM

  Authors

  • Hatem H. Helal

    • Theory of Condensed Matter, Cavendish Laboratory, University of Cambridge

  • Mike Payne

    • Theory of Condensed Matter, Cavendish Laboratory, University of Cambridge

  • Arash A. Mostofi

    • Departments of Physics and Materials, Imperial College London

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• Using stochastic dynamics to validate runtimes of protein simulations

  ORAL

  March 17, 2009, 4:30 PM – March 17, 2009, 4:42 PM

  Authors

  • Stephen D. Hicks

    • Cornell University

  • Christopher L. Henley

    • Cornell University
    • Cornell Univ.

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• A symplectic integration method for elastic filaments

  ORAL

  March 17, 2009, 4:42 PM – March 17, 2009, 4:54 PM

  Authors

  • Tony Ladd

    • University of Florida

  • Gaurav Misra

    • University of Florida

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• Biomolecular Structure Determination with Divide and Concur

  ORAL

  March 17, 2009, 4:54 PM – March 17, 2009, 5:06 PM

  Authors

  • Yoav Kallus

    • Cornell University

  • Veit Elser

    • Cornell University

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• Adaptive anisotropic network model: generating transition pathways of supramolecular system

  ORAL

  March 17, 2009, 5:06 PM – March 17, 2009, 5:18 PM

  Authors

  • Zheng Yang

    • Univeristy of Pittsburgh

  • Ivet Bahar

    • University of Pittsburgh
    • Department of Computaional Biology, Univeristy of Pittsburgh

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• Generic Coarse-Grained Model for Protein Folding and Aggregation

  ORAL

  March 17, 2009, 5:18 PM – March 17, 2009, 5:30 PM

  Authors

  • Tristan Bereau

    • Dept. of Physics, Carnegie Mellon University, Pittsburgh, PA 15213

  • Markus Deserno

    • Carnegie Mellon University
    • Carnegie Mellon
    • Dept. of Physics, Carnegie Mellon University, Pittsburgh, PA 15213

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• Computational Investigation of Conformational Changes in Proteins upon Adsorption

  ORAL

  March 17, 2009, 5:30 PM – March 17, 2009, 5:42 PM

  Authors

  • Sumit Sharma

    • Columbia University

  • Gaurav Anand

    • Rensselaer Polytechnic Institute

  • Georges Belfort

    • Rensselaer Polytechnic Institute

  • Sanat K. Kumar

    • Columbia University
    • Department of Chemical Engineering, Columbia University, New York, NY

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• Role of van der Waals interactions for the intrinsic stability of polyalanine helices

  ORAL

  March 17, 2009, 5:42 PM – March 17, 2009, 5:54 PM

  Authors

  • Alexandre Tkatchenko

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

  • Volker Blum

    • Fritz-Haber-Institut der MPG, Berlin, Germany
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany

  • Joel Ireta

    • Dep. Quimica, UAM-Iztapalapa, Mexico

  • Matthias Scheffler

    • Fritz-Haber-Institut der MPG
    • FHI, Berlin, Germany
    • Fritz-Haber-Institut
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
    • Fritz-Haber-Institut der MPG, Berlin, Germany

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