Conformational Ensembles from Experimental Data and Computer Simulations

Conformational Ensembles from Experimental Data and Computer Simulations

Program Schedule

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

Coffee Break Meitner Hall & Planck Lobby

10:30 – 11:00

Session II

Integrative and Hybrid Methods Helen Berman, Rutgers University, 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, The Netherlands High-resolution, Integrative Modelling of Biomolecular Complexes from Fuzzy Data 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

12:30 – 13:00

Lunch

Restaurant

13:00 – 14:00

Session III

Interpreting Experiments Through Molecular Simulation Andrea Cavalli, Institute for Research in Biomedicine, Switzerland, Chair Cecilia Clementi, Rice University, USA Incorporating Experimental Data in Long Timescales Macromolecular Simulations Michael Feig, Michigan State University, USA* Dynamics of Proteins Under Crowded Conditions in Simulations and Experiments Arianna Fornili, Queen Mary University of London, United Kingdom* In Silico Identification of Rescue Sites by Double Force Scanning

14:00 – 14:45

14:45 – 15:15

15:15 – 16:00

Coffee Break Meitner Hall & Planck Lobby

16:00 – 16:30

Poster Session 1

Meitner Hall

16:30 – 18:00

Sunday, August 27, 2017 8:30 – 18:00

Registration/Information Planck Lobby

Session III (cont.)

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

9:00 – 9:30

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

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