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Conformational Ensembles from Experimental Data
and Computer Simulations
Program Schedule
6
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 Meitner Hall & Planck Lobby
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
Restaurant
Session VII
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 Meitner Hall & Planck Lobby
16:30 – 18:00
Poster Session 3
Meitner Hall
Tuesday, August 29, 2017
8:30 – 12:30
Registration/Information Planck Lobby
Session VI I (cont.)
Integrating Heterogeneous Data
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