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Daily Schedule



Friday, August 25, 2017

12:00 - 18:00
Registration/Information

14:00 - 14:15
Kresten Lindorff-Larsen, University of Copenhagen, Denmark
Opening Remarks

Session 1: Disordered Protein Ensembles
Gerhard Hummer, Max Planck Institute of Biophysics, Germany, Chair

14:15 - 15:00
Adriaan Bax, NIH, NIDDKD, USA
An NMR View of Folded and Unfolded Proteins and Their Transient Intermediates

15:00 - 15:45
Tanja Mittag, St. Jude Children's Research Hospital, USA
Sequence Determinants of the Conformational Properties of an Intrinsically Disordered Protein Undergoing Multi-site Phosphorylation

15:45 - 16:15
Coffee Break

16:15 - 17:00
Teresa Head-Gordon, University of California, Berkeley, USA
New Methods for Generating and Evaluating Conformational Ensembles

17:00 - 17:30
Paul Robustelli, D.E. Shaw Research, USA *
Developing Force Fields for the Accurate Simulation of Both Ordered and Disordered Protein States

18:00 - 20:00
Welcome Reception

Saturday, August 26, 2017

8:30 - 18:00
Registration/Information

Session 1: Disordered Protein Ensembles (cont.)
William Eaton, NIH, USA, Chair

9:00 - 9:45
Martin Blackledge, Institut de Biologie Structurale, France
Large-scale Protein Conformational Dynamics from NMR and Molecular Simulation. From Fundamental Biophysics to Biological Function

9:45 - 10:30
Birthe Kragelund, University of Copenhagen, Denmark
Dynamics and Disorder in Class 1 Cytokine Receptors

10:30 - 11:00
Coffee Break

Session 2: Integrative and Hybrid Methods
Helen Berman, Rutgers Unversity, USA, Chair

11:00 - 11:45
Andrej Sali, University of California, San Francisco, USA
Integrative Modeling of Multiple States of Macromolecules

11:45 - 12:30
Alexandre Bonvin, Utrecht University, Netherlands
High-resolution, Integrative Modelling of Biomolecular Complexes From Fuzzy Data

12:30 - 13:00
Ji-Joon Song, Korea Advanced Institute of Science and Technology, South Korea * 
Structural Insights into the Architecture of Human Importin4_Histone H3/H4_Asf1a Complex and Its Histone H3 Tail Binding

13:00 - 14:00
Lunch

Session 3: Interpreting Experiments Through Molecular Simulation
Andrea Cavalli, Institute for Research in Biomedicine, Switzerland, Chair

14:00 - 14:45
Cecilia Clementi, Rice University, USA
Incorporating Experimental Data in Long Timescales Macromolecular Simulations

14:45 - 15:15
Michael Feig, Michigan State University, USA *
Dynamics of Proteins Under Crowded Conditions in Simulations and Experiments

15:15 - 15:45
Arianna Fornili, Queen Mary University of London, United Kingdom *
In Silico Identification of Rescue Sites by Double Force Scanning

15:45 - 16:30
Coffee Break

16:30 - 18:00
Poster Session 1

Sunday, August 27, 2017

8:30 - 18:00
Registration/Information

Session 3: Interpreting Experiments Through Molecular Simulation (cont.)
Andrea Cavalli, Institute for Research in Biomedicine, Switzerland, Chair

9:00 - 9:30
Sheng-Te Danny Hsu, Academia Sinica, Taiwan *
Structural Basis of Substrate Recognition and Chaperone Activity of Ribosome-associated Trigger Factor Regulated by Monomer-dimer Equilibrium

9:30 - 10:00
Jana Selent, Pompeu Fabra University, Spain *
Functional Dynamics of the Distal C-tail of Arrestin

10:00 - 10:30
Massimiliano Bonomi, University of Cambridge, United Kingdom *
Integrative Structural and Dynamical Biology with PLUMED-ISDB

10:30 - 11:00
Coffee Break

Session 4: Interpreting X-Ray Scattering Data
Marie Skepö, Lund University, Sweden, Chair

11:00 - 11:45
Jill Trewhella, University of Sydney, Australia
Modelling Conformational Ensembles from Small Angle Scattering

11:45 - 12:30
Jochen Hub, Georg-August University Göttingen, Germany
Bayesian Refinement of Protein Structures and Ensembles Against SAXS Data by Using Molecular Dynamics

12:30 - 13:00
Lee Makowski, Northeastern University, USA *
Comparison of the Global Dynamics of Proteins as Assessed by WAXS and MD

13:00 - 14:00
Lunch

Session 5: Bayesian Methods for Generating Ensembles
Martin Blackledge, Institut de Biologie Structurale, France, Chair

14:00 - 14:45
Michael Habeck, Max Planck Institute for Biophysical Chemistry, Germany
Bayesian Modeling with Ensemble Data

14:45 - 15:30
Collin Stultz, Massachusetts Institute of Technology, USA
What Does It Mean for a Protein to be Disordered? Insights from Experiment and Molecular Simulations

15:30 - 16:00
Simon Olsson, Freie Universität Berlin, Germany * 
Bridging the Gap Between Stationary and Dynamic Data Through Augmented Markov Models

16:00 - 16:30
Coffee Break

16:30 - 18:00
Poster Session 2

18:00 - 22:00
Barbeque Dinner & Social Networking

Monday, August 28, 2017

8:30 - 18:00
Registration/Information

Session 6: Interpreting X-Ray Diffraction and EM Data
Alexandre Bonvin, Utrecht University, The Netherlands, Chair

9:00 - 9:45
Henry van den Bedem, Stanford University, USA
Resolving Catalytic Motions and Dynamics of Isocyanide Hydratase from X-Ray Crystallography

9:45 - 10:30
Michael Wall, Los Alamos National Laboratory, USA
Diffuse X-Ray Scattering to Model the Protein Conformational Ensemble

10:30 - 11:00 
Coffee Break

11:00 - 11:45
James Fraser, University of California, San Francisco, USA
Birth of the Cool: Protein Allostery by Multi-temperature Multi-conformer X-Ray Crystallography

11:45 - 12:30
Pilar Cossio, Max Planck Institute of Biophysics, Germany
Hybrid Models and Bayesian Analysis of Individual EM Images: An Alternative For Challenging EM Data

12:30 - 13:00
Gydo Van Zundert, Schrodinger, USA * 
Objectively and Automatically Building Multi-conformer Ligand Models in Electron Densities

13:00 - 14:00
Lunch

Session 7: Integrating Heterogeneous Data
Andrej Sali, University of California, San Francisco, USA, Chair

14:00 - 14:45
Tanja Kortemme, University of California, San Francisco, USA
Systematic Perturbation of a Fundamental Biological Switch

14:45 - 15:30
Thérèse Malliavin, Institut Pasteur, France
From High-resolution Protein Structures to Information About Functional Dynamics

15:30 - 16:00
Claus Seidel, Heinrich Heine University, Germany *
Quantitative Integrative FRET Studies Unravel the Dynamic Structural Ensemble of the Large GTPase hGBP1 Required for Oligomerization

16:00 - 16:30
Coffee Break

16:30 - 18:00
Poster Session 3

Tuesday, August 29, 2017

8:30 - 12:30
Registration/Information

Session 7: Integrating Heterogeneous Data (cont.)
Kresten Lindorff-Larsen, University of Copenhagen, Denmark, Chair

9:00 - 9:45
Justin MacCallum, Calgary, Canada
Inferring Protein Structure From Sparse and Unreliable Experimental Data

9:45 - 10:30
Enrico Ravera, University of Florence, Italy
Averaged Experimental Data: From Algebra to Biology

10:30 - 11:00
Coffee Break

11:00 - 11:45
Charles Schwiters, National Institutes of Health, USA
Computation of Structural Ensembles from NMR and Other Data

11:45 - 12:15
Naomi Latorraca, Stanford University, USA *
Mechanism of Substrate Translocation in an Alternating Access Transporter

12:15 - 12:30
Gerhard Hummer, Max Planck Institute of Biophysics, Germany
Closing Remarks and BJ Poster Awards Presentation

12:30 - 13:30
Lunch

* Contributed talks selected from among submitted abstracts