Ensemble inference – new sampling algorithms and applications in structural biology (B02)

• Subject Area: Biophysics ; Mathematics
• Term: since 2021
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 432680300

How should we create a microscopic physical model for biomolecular structure ensembles so as to reproduce observed bulk averages? Driven by this question, our project aims to develop, analyze and tune algorithms for Bayesian inference of ensemble models for protein structures. The envisioned developments allow us to infer protein ensembles from nuclear magnetic resonance data and thereby gain a better understanding of the formation of protein-protein complexes.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1456: Mathematics of Experiment: The challenge of indirect measurements in the natural sciences
• Applicant Institution: Georg-August-Universität Göttingen
• Project Heads: Professor Dr. Berend de Groot; Professor Dr. Michael Habeck; Professor Dr. Daniel Rudolf