8-11 April 2019
ILL4
Europe/Paris timezone
simSAS 2019

Programme - titles & abstracts

Monday 8 April

11:15 - Registration

12:15 - Lunch

13:15 - Welcome - M. Johnson (ILL Science Director) and S. Prévost (ILL organiser)

13:45 - L. Petridis - Integrating molecular simulation with neutron scattering to study flexible biological systems

14:30 - A. Sodt - Deciphering nanometer scale heterogeneity in ordered lipid phases using molecular simulation and small angle neutron scattering

15:15 - W. Hatch - Simulations of concentrated solutions of monoclonal antibodies and sticky cylindrical particles using open-source software

16:00 - Coffee break

16:30 - P. Olmsted - Asymmetry, Registration, Flip-Flop, and Phase Separation in Lipid Bilayers

17:15 - J. Bujnicki - SAXS data-driven modeling of RNA 3D structures

18:00 - M. Marchi - A fast and accurate SAS calculationfrom MD simulations

18:45 - K. Pande (given remotely by P. Zwart) - Recent Developments in Fluctuation X-ray Scattering

 

Tuesday 9 April

8:45 - S. Perkins, J. Bhatt - CCP-SAS – a community consortium for the advanced modelling of scattering data – applications and implementation

9:30 - J. Hub - SAXS-guided structure and ensemble refinement using explicit-solvent MD simulations. Recent developments and remaining challenges

10:15 - Coffee break

10:45 - S. Westenhoff - Time-resolved solution X-ray scattering of photoactive proteins

11:15 - F. Poitevin - Reduction of SAXS data into sets of structural moments

11:45 - Lunch
 

12:45 - ILL visit

14:15 - Parallel working groups

16:30 - M. Skepö - Utilizing coarse-grained modelling and Monte Carlo simulations to understand and predict SAXS-data for intrinsically disordered proteins

17:15 - D. Horinek - Aggregation in Surfactant-Free Ternary Mixtures

18:00 - P. Hoghoj (Xenocs) - New possibilities with SAXS measurements in the lab

18:45 - Posters, wine & cheese

 

Wednesday 10 April

8:45 - D. Franke - The atsas software suite for small angle scattering from macromolecular solutions

9:30 - L. Arleth - Methods for interpreting small-angle scattering scattering data from membrane proteins

10:15 - Coffee break

10:45 - W. Potrzebowski - Bayesian inference of conformational ensembles from limited structural data

11:15 - J. Pérez - Memprot & Dadimodo: programs for modeling the detergent belt in solubilized membrane protein complexes & re-orienting domains of multi-domain proteins

11:45 - K. Edler - Micelles & Monolayers: Exploring use of models to understand scattering data

12:30 - Lunch

13:45 - R. Netz - Insights on Water Structure from the Modeling of Scattering Data

14:30 - G. Kneller - Asymptotic analysis of quasielastic neutron scattering data from human Acetylcholinesterase reveals subtle dynamical changes upon ligand binding

15:15 - K. Tomii - What went wrong and right in trying to improve models for CASP-SAXS targets?

16:00 - Coffee break

16:30 - T. Grant (remotely) - Solving the phase problem in solution scattering

17:15 - M. Dal Peraro - KAP1 is an antiparallel dimer with a natively functional asymmetry

18:00 - D. Schneidman - Macromolecular structure and dynamics based on SAXS profiles

19:30 - Gala dinner

 

Thursday 11 April

8:45 - P. Bernado - Disentangling the Structural Complexity of Disordered Biomolecular Assemblies

9:30 - C. Likos - Knotted and unknotted ring polymers under shear

10:15 - Coffee break

10:45 - C. Breyton - SAS of membrane proteins: the data we have, what modelling would we need?

11:15 - C. Czaplewski - Small angle X-ray scattering data assisting protein structure prediction with coarse-grained UNRES simulations

11:45 - A. Moreno - Synthesis routes and crowding effects on single-chain polymeric nanoparticles: Combining simulations and small-angle neutron and X-ray scattering

12:15 - Farewell

12:40 - Lunch

13:45 - Parallel working groups

16:30 - Tutorials

 

Friday 12 April

8:45 - Tutorials

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