Free Energy Mapping in Biology and Materials Science II

Presentations

• Computing free-energy landscapes of co-operative structure changes in soft, biological matter

  Invited

  March 8, 2018, 11:15 AM – March 8, 2018, 11:51 AM

  Presenters

  • Marcus Mueller

    • Institute for Theoretical Physics, University of Goettingen

  Authors

  • Marcus Mueller

    • Institute for Theoretical Physics, University of Goettingen

  View abstract →

• From cellulose and lignin to kerogen: molecular simulations of a geological process

  ORAL

  March 8, 2018, 11:51 AM – March 8, 2018, 12:03 PM

  Presenters

  • Roland Pellenq

    • Massachussets Inst of Tech-MIT
    • <MSE>2, CNRS / MIT / AMU, Massachusetts Inst of Tech-MIT
    • Civil and Environmental Engineering, Massachusetts Institute of Technology
    • Massachusetts Inst of Tech-MIT

  Authors

  • Roland Pellenq

    • Massachussets Inst of Tech-MIT
    • <MSE>2, CNRS / MIT / AMU, Massachusetts Inst of Tech-MIT
    • Civil and Environmental Engineering, Massachusetts Institute of Technology
    • Massachusetts Inst of Tech-MIT

  • Lea Atmani

    • CINaM, CNRS / Aix-Marseille U.

  • Christophe Bichara

    • CINaM, CNRS / Aix-Marseille U.

  • Henri Van Damme

    • <MSE>2, CNRS / MIT / AMU, Massachusetts Inst of Tech-MIT

  • Adri Van Duin

    • Department of Mechanical and Nuclear Engineering, Pennsylvania State University

  • Franz Ulm

    • <MSE>2, CNRS / MIT / AMU, Massachusetts Inst of Tech-MIT

  • Jean-Marc Leyssale

    • Institut des Sciences Moléculaires, Univ. Bordeaux and CNRS

  View abstract →

• RNA Structure Prediction Including Pseudoknots through Direct Enumeration of States

  ORAL

  March 8, 2018, 12:03 PM – March 8, 2018, 12:15 PM

  Presenters

  • Ofer Kimchi

    • Biophysics, Harvard University
    • Harvard University

  Authors

  • Ofer Kimchi

    • Biophysics, Harvard University
    • Harvard University

  • Tristan Cragnolini

    • Chemistry, Cambridge University

  • Michael Brenner

    • Harvard University
    • School of Engineering and Applied Sciences, Harvard University
    • SEAS, Harvard University

  • Lucy Colwell

    • Chemistry, Cambridge University

  View abstract →

• Two Disease-Causing SNAP-25B Mutations Selectively Impair SNARE C-terminal Assembly

  ORAL

  March 8, 2018, 12:15 PM – March 8, 2018, 12:27 PM

  Presenters

  • Aleksander Rebane

    • Physics, Yale University

  Authors

  • Aleksander Rebane

    • Physics, Yale University

  • Bigeng Wang

    • Cell Biology, Yale School of Medicine

  • Lu Ma

    • Cell Biology, Yale School of Medicine

  • Hong Qu

    • Cell Biology, Yale School of Medicine

  • Jeff Coleman

    • Cell Biology, Yale School of Medicine

  • Shyam Krishnakumar

    • Cell Biology, Yale School of Medicine

  • James Rothman

    • Cell Biology, Yale School of Medicine

  • Yongli Zhang

    • Cell Biology, Yale School of Medicine

  View abstract →

• Universal and Efficient Entropy Estimation Using a Compression Algorithm

  ORAL

  March 8, 2018, 12:27 PM – March 8, 2018, 12:39 PM

  Presenters

  • Ram Avinery

    • The Raymond and Beverly Sackler School of Physics and Astronomy, Tel Aviv University

  Authors

  • Ram Avinery

    • The Raymond and Beverly Sackler School of Physics and Astronomy, Tel Aviv University

  • Micha Kornreich

    • Physics and Astronomy, Tel Aviv University
    • The Raymond and Beverly Sackler School of Physics and Astronomy, Tel Aviv University

  • Roy Beck

    • Tel Aviv Univ
    • School of Physics and Astronomy, Tel Aviv University
    • Physics and Astronomy, Tel Aviv University
    • The Raymond and Beverly Sackler School of Physics and Astronomy, Tel Aviv University

  View abstract →

• Computational high-throughput screening of drug-membrane thermodynamics

  ORAL

  March 8, 2018, 12:39 PM – March 8, 2018, 12:51 PM

  Presenters

  • Roberto Menichetti

    • Max Planck Inst

  Authors

  • Roberto Menichetti

    • Max Planck Inst

  • Kiran H. Kanekal

    • Max Planck Inst

  • Kurt Kremer

    • Max Planck Inst
    • Max Planck Institute for Polymer Research
    • Max-Planck-Institute for Polymer Research
    • Polymer Theory, Max Planck Institute for Polymer Research

  • Tristan Bereau

    • Max Planck Inst

  View abstract →

• Insights into Protegrin Antimicrobial Peptides Membrane Translocation by Multistep Molecular Dynamics Simulations

  ORAL

  March 8, 2018, 12:51 PM – March 8, 2018, 1:03 PM

  Presenters

  • Pin-Kuang Lai

    • Chemical Engineering and Materials Science, University of Minnesota

  Authors

  • Pin-Kuang Lai

    • Chemical Engineering and Materials Science, University of Minnesota

  • Yiannis Kaznessis

    • Chemical Engineering and Materials Science, University of Minnesota
    • Univ of Minnesota - Twin Cities

  View abstract →

• Energy landscapes from single-particle imaging of biological processes in and out of equilibrium

  ORAL

  March 8, 2018, 1:03 PM – March 8, 2018, 1:15 PM

  Presenters

  • Jeremy Copperman

    • Physics, Univ of Wisconsin, Milwaukee
    • Physics, University of Wisconsin, Milwaukee

  Authors

  • Jeremy Copperman

    • Physics, Univ of Wisconsin, Milwaukee
    • Physics, University of Wisconsin, Milwaukee

  • Ali Dashti

    • Physics, Univ of Wisconsin, Milwaukee
    • Physics, University of Wisconsin, Milwaukee

  • Ghoncheh Mashayekhi

    • Physics, Univ of Wisconsin, Milwaukee
    • Physics, University of Wisconsin, Milwaukee

  • Ahmad Hosseinizadeh

    • Physics, Univ of Wisconsin, Milwaukee
    • Physics, University of Wisconsin, Milwaukee

  • Abbas Ourmazd

    • Physics, Univ of Wisconsin, Milwaukee
    • Physics, University of Wisconsin, Milwaukee

  • Peter Schwander

    • Physics, Univ of Wisconsin, Milwaukee
    • Physics, University of Wisconsin, Milwaukee

  View abstract →

• From KB to <i>K</i>_B: observing entropy dynamics of complex systems using lossless compression algorithms

  ORAL

  March 8, 2018, 1:15 PM – March 8, 2018, 1:27 PM

  Presenters

  • Roy Beck

    • Tel Aviv Univ
    • School of Physics and Astronomy, Tel Aviv University
    • Physics and Astronomy, Tel Aviv University
    • The Raymond and Beverly Sackler School of Physics and Astronomy, Tel Aviv University

  Authors

  • Ram Avinery

    • School of Physics and Astronomy, Tel Aviv University
    • Physics and Astronomy, Tel Aviv University

  • Micha Kornreich

    • Physics and Astronomy, Tel Aviv University
    • The Raymond and Beverly Sackler School of Physics and Astronomy, Tel Aviv University

  • Roy Beck

    • Tel Aviv Univ
    • School of Physics and Astronomy, Tel Aviv University
    • Physics and Astronomy, Tel Aviv University
    • The Raymond and Beverly Sackler School of Physics and Astronomy, Tel Aviv University

  View abstract →

• The kinetics of solution-phase Ag nanowire growth mediated by PVP: A theoretical perspective

  ORAL

  March 8, 2018, 1:27 PM – March 8, 2018, 1:39 PM

  Presenters

  • Xin Qi

    • Pennsylvania State University

  Authors

  • Xin Qi

    • Pennsylvania State University

  • Kristen Fichthorn

    • Pennsylvania State University
    • Department of Chemical Engineering, The Pennsylvania State University
    • Pennsylvania State Univ

  View abstract →

• Toward realistic dynamical simulations of advanced materials, including ultrafast phase transitions

  ORAL

  March 8, 2018, 1:39 PM – March 8, 2018, 1:51 PM

  Presenters

  • Roland Allen

    • Texas A&M Univ

  Authors

  • Roland Allen

    • Texas A&M Univ

  • Jian Weng

    • Texas A&M Univ

  • Ross Tagaras

    • Texas A&M Univ

  View abstract →

• An evaluation of the accuracy of dynamic transition matrix calculations of Ising spin systems

  ORAL

  March 8, 2018, 1:51 PM – March 8, 2018, 2:03 PM

  Presenters

  • David Yevick

    • Department of Physics, University of Waterloo

  Authors

  • David Yevick

    • Department of Physics, University of Waterloo

  View abstract →