Conformational Ensembles from Experimental Data and Computer Simulations

Conformational Ensembles from Experimental Data and Computer Simulations

Program Schedule

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

Coffee Break Meitner Hall & Planck Lobby

10:30 – 11:00

Session IV

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 Lee Makowski, Northeastern University, USA* Comparison of the Global Dynamics of Proteins as Assessed by WAXS and MD

12:30 – 13:00

Lunch

Restaurant

13:00 – 14:00

Session V

Bayesian Methods for Generating Ensembles Martin Blackledge, Institut de Biologie Structurale, France, Chair Michael Habeck, Max Planck Institute for Biophysical Chemistry, Germany Bayesian Modeling with Ensemble Data Collin Stultz, Massachusetts Institute of Technology, USA What Does It Mean for a Protein to be Disordered? Insights from Experiment and Molecular Simulations Simon Olsson, Freie Universität Berlin, Germany* Bridging the Gap Between Stationary and Dynamic Data Through Augmented Markov Models

14:00 – 14:45

14:45 – 15:30

15:30 – 16:00

Coffee Break Meitner Hall & Planck Lobby

16:00 – 16:30

Poster Session 2

Meitner Hall

16:30 – 18:00

Dinner

Restaurant & Restaurant Terrace

18:00 – 22:00

Monday, August 28, 2017 8:30 – 18:00

Registration/Information Planck Lobby

Session VI

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

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