« Molecular modeling of cellular condensates at multiple resolutions »
Alessandro Barducci, Centre de Biologie Structurale, University of Montpellier / CNRS / INSERM.
The next NUMEV seminar will take place on Friday, Sept. 08 at 11am at Amphi Moreau, Building 2 (LMGC), 860 rue de Saint Priest, 34000 Montpellier.
What : « Molecular modeling of cellular condensates at multiple resolutions », Alessandro Barducci, Centre de Biologie Structurale, University of Montpellier / CNRS / INSERM.
When : 11am on Friday, May 12 + Lunch.
Where : Amphi Moreau, Bât. 2 (LMGC), Campus Saint Priest, 860 rue de Saint Priest, Montpellier.
Open to all researchers from all disciplines. Registration is free but mandatory.
If you are a PhD student at I2S Doctoral School, attending this seminar can be validated as complementary doctoral training : check the box in the registration form.
Please feel free to spread the information. The seminar is open to all. We look forward to seeing you there !
Abstract
Membraneless organelles are dynamical biomolecular assemblies formed via phase separation of proteins and nucleic acids. These cellular condensates are currently thought to play a major role in organizing the cellular environment and characterizing their structural and functional properties has paramount importance to improve our understanding of cell functioning. In this challenge, adequate theoretical and computational approaches are needed to complement in vitro and in vivo experiments. In our group we develop and apply multi-scale simulation strategies for dissecting the driving forces of condensate assembly and for accessing their structural and dynamical details, which are elusive to most experimental techniques. Here, I will present some recent applications of atomistic simulations to probe intermolecular interactions and structural ensembles in model protein and protein/RNA condensates. Furthermore, I will introduce coarse-grained approaches for investigating the thermodynamic determinants of condensation, including energy-consuming biochemical reactions that may regulate the phase behaviour beyond the boundaries of thermodynamic equilibrium.