RECORDING COMING SOON
When: 1 March 2024, 14:15-15:15
Where: at LINXS, workshop room on the 5th floor (Scheelevägen 19, Lund), with digital participation possibility (Zoom). Registered participants (online-only) will receive a zoom-link the same day as the event.
Title: Data-driven modeling of the intrinsically disordered proteome
Speaker: Giulio Tesei, assistant professor at the Department of Biology, University of Copenhagen, Denmark
Abstract
Intrinsically disordered regions (IDRs) constitute about one third of the human proteome and play important roles in biological processes. While lacking well-defined 3D structures, IDRs adopt heterogeneous conformational ensembles which are determined by the amino acid sequence, yet not captured by existing structure prediction methods.
I will first present CALVADOS, an efficient molecular model of IDRs which we trained on experimental data reporting on conformational properties and validated extensively against both conformational and phase properties. Second, I will describe how we investigated relationships between sequence, conformational ensembles, and biological functions of IDRs using molecular simulations of 28,058 human IDRs performed with CALVADOS.
Through bioinformatics analyses, we explored the relationship between the compaction of the IDRs, which we obtained from simulations, and the biological function and cellular localization of the proteins. Further, we gained insights into how sequence features relate to chain compaction and analyzed the evolutionary conservation of conformational properties across homologous IDRs. Our work exemplifies how a proteome-wide database of conformational ensembles can be used to formulate hypotheses on the biological role and evolution of human IDRs.
Bio
Giulio Tesei is an assistant professor at the Department of Biology at the University of Copenhagen, Denmark, in the group of Prof. Kresten Lindorff-Larsen. He received his Ph.D. in Theoretical Chemistry from Lund University, Sweden, and completed postdoctoral training at the University of Copenhagen. His research centers around developing and applying coarse-grained molecular models to study biomolecular systems, with a focus on intrinsically disordered regions and biomolecular condensates.
Contact: Please contact josefin.martell@linxs.lu.se for any practical questions.
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