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

PIs: Prof. Dr. Bert L. de Groot; Prof. Dr. Michael Habeck; Prof. Dr. Daniel Rudolf

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.

PhD students:
Julian Hofstadler
Mareike Hasenpflug

Benjamin Eltzner, Dr.

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