From: 2026-02-09 14:15 to 15:00
Place: Lecturehall KC:F
Contact: andrea [dot] scotti [at] fkem1 [dot] lu [dot] se

A COMMONS seminar by Associate senior lecturer Guilio Tesei, Malmö University.

Data-driven models of intrinsically disordered proteins and their phase separation

When: 9 February, 14:15-15:00

Where: Lecturehall KC:F or https://lu-se.zoom.us/j/66935352055

Intrinsically disordered regions (IDRs) make up about one third of the human proteome and play key roles in many biological processes. Although they lack a well-defined 3D structure, their heterogeneous ensembles are shaped by multivalent residue–residue interactions that can also underpin the formation of biomolecular condensates. I will present CALVADOS, a one-bead-per-residue model optimized on experimental data and validated for both single-chain conformations and phase behavior across diverse sequences. I will then show how a similar data-driven approach can be used to refine a hybrid-resolution model with an atomistic backbone. The model matches the accuracy of CALVADOS for global dimensions and phase separation while capturing local structure and backbone hydrogen bonding.