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.
During the seminar CALVADOS will be presented, an efficient molecular model of IDRs which was trained on experimental data reporting on conformational properties and validated extensively against both conformational and phase properties. Furthermore, how the investigation was carried out on relationships between sequence, conformational ensembles, and biological functions of IDRs using molecular simulations of 28,058 human IDRs performed with CALVADOS will be described.
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.