Perspectives and Challenges in Modeling of Small Angle Scattering data in Soft Matter and Life Sciences

April 8, 2019 to April 12, 2019
Location : Planned location: Institut Laue-Langevin (in collaboration with CECAM-FR-RA)


  • Sylvain Prévost (Institut Laue-Langevin, France)
  • Sergei Grudinin (Inria / CNRS, France)
  • Anne Martel (Institut Laue-Langevin, France)
  • Jean-Louis Barrat (University of Grenoble, France)



Institut Laue-Langevin

ESRF - The European Synchrotron


The field of modeling in Soft Matter and Life Sciences is growing tremendously. Yet the gap between the expertise of dedicated research groups in simulation and the knowledge of Small Angle Scattering users is widening.

This CECAM workshop aims at bridging these two worlds by gathering developers of multi-scale simulation methods and expert users of small angle scattering techniques.

The state-of-the-art will be discussed by invited speakers, including their accessibility and limitations. SAS experimentalists from Soft Matter and Life Sciences are encouraged to attend and provide feedback.

Two sessions will be dedicated to parallel working groups to promote collaborations between simulations and Small Angle Scattering communities.

Tutorials demonstrating software and methodologies for simulations of Soft Matter and Life Sciences systems are organized at the end of the conference.

Scientists (incl. PhD students and post-docs) who wish to attend can register and bring posters.


[1] Franke D et al., "ATSAS 2.8: a comprehensive data analysis suite for smallā€angle scattering from macromolecular solutions", J. Appl. Cryst. 2017, 50:1212-1225, DOI: 10.1107/S1600576717007786
[2] Perkins SJ et al., "Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)", J. Appl. Cryst. 2016, 49:1861-1875, DOI: 10.1107/S160057671601517X
[3] Grudinin S et al., "Pepsi-SAXS: an adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles", Acta Crystallography D 2017, 73 (5):449-464, DOI: 10.1107/S2059798317005745
[4] Hub, JS "Interpreting solution X-ray scattering data using molecular simulations", Current Opinion in Structural Biology 2018, 49:18-26, DOI: 10.1016/
[5] Josts, I et al., "Conformational States of ABC Transporter MsbA in a Lipid Environment Investigated by Small-Angle Scattering Using Stealth Carrier Nanodiscs" Structure 2018, 26:1-8, DOI: 10.1016/j.str.2018.05.007
[6] Maric S et al., "Modeling Small-Angle X-ray Scattering Data for Low-Density Lipoproteins: Insights into the Fatty Core Packing and Phase Transition", ACS Nano 2017, 11:1080-1090, DOI:10.1021/acsnano.6b08089