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Conformational Ensembles from Experimental Data
and Computer Simulations
Program Schedule
4
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 Meitner Hall & Planck Lobby
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
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
Restaurant
Session III
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 – 16:00
Arianna Fornili, Queen Mary University of London, United Kingdom*
In Silico Identification of Rescue Sites by Double Force Scanning
16:00 – 16:30
Coffee Break Meitner Hall & Planck Lobby
16:30 – 18:00
Poster Session 1
Meitner Hall
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