Conformational Ensembles from Experimental Data and Computer Simulations

Conformational Ensembles from Experimental Data and Computer Simulations

Program Schedule

9:00 – 9:45

Henry van den Bedem, Stanford University, USA Resolving Catalytic Motions and Dynamics of Isocyanide Hydratase from X-Ray Crystallography Michael Wall, Los Alamos National Laboratory, USA Diffuse X-Ray Scattering to Model the Protein Conformational Ensemble

9:45 – 10:30

Coffee Break Meitner Hall & Planck Lobby

10:30 – 11:00

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 Pilar Cossio, Max Planck Institute of Biophysics, Germany Hybrid Models and Bayesian Analysis of Individual EM Images: An Alternative for Challenging EM Data Gydo Van Zundert, Schrodinger, USA* Objectively and Automatically Building Multi-conformer Ligand Models in Electron Densities Integrating Heterogeneous Data Andrej Sali, University of California, San Francisco, USA, Chair Tanja Kortemme, University of California, San Francisco, USA Systematic Perturbation of a Fundamental Biological Switch Thérèse Malliavin, Institut Pasteur, France From High-resolution Protein Structures to Information About Functional Dynamics Claus Seidel, Heinrich Heine University, Germany* Quantitative Integrative FRET Studies Unravel the Dynamic Structural Ensemble of the Large GTPase hGBP1 Required for Oligomerization Lunch Restaurant

11:45 – 12:30

12:30 – 13:00

13:00 – 14:00

Session VII

14:00 – 14:45

14:45 – 15:30

15:30 – 16:00

Coffee Break Meitner Hall & Planck Lobby

16:00 – 16:30

Poster Session 3

Meitner Hall

16:30 – 18:00

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

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