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Multiscale modelling of aberrant phase transitions in biocondensates

Project description

Multiscale modelling to prevent RNA aberrant phase transitions

Cellular organisation is essential for function, with many compartments forming dynamic assemblies known as condensates through liquid-liquid phase separation. When misregulated, these condensates can give rise to harmful aggregates associated with age-related and neurodegenerative disorders. The ERC-funded In-phase project will develop a computational approach to investigate how molecules behave within functional condensates that may transition into pathological solid aggregates. By integrating coarse-grained force fields with atomistic simulations into a multiscale modelling platform, the project aims to uncover the forces that drive condensates out of their functional states and develop strategies to prevent aberrant phase transitions of RNA and proteins.

Objective

The spatiotemporal organization of the cell material represents one of the great wonders in physics, chemistry and biology. Compartmentalization plays a key role in such precise molecular coordination and enables cellular function. Over the past decade, transformative experiments have revealed that most intracellular compartments are not enclosed by membranes, but instead they are dynamical assemblies, termed condensates, and thought to occur via liquid-liquid phase separation of biomolecules. Nevertheless, the misregulation of these condensatesmostly formed by proteins and nucleic acidscan give rise to deleterious solid-like aggregates, which are associated with the proliferation of age-related and neurodegenerative disorders.

In-phase aims to develop an innovative computational approach to resolve the dynamical behaviour of molecules inside functional condensates that drift their complex physicochemical behaviour into pathological solid aggregates. To this end, we plan to develop a multiscale modelling platformcombining coarse-grained force fields and atomistic simulationswhich will address the following critical questions: What are the encoded molecular features in RNA and protein sequences regulating phase behaviour? What pushes biomolecular condensates to shift their material properties over time? Can we prevent the proliferation of pathological aggregates induced by condensate misregulation? The overarching goals of this project are: (1) to understand the thermodynamic and intermolecular forces driving condensates out-of-function; and (2) devise potential strategies for preventing RNA/protein aberrant phase transitions in biomolecular condensates. This alone is ground-breaking because it will reveal the underlying mechanisms and interactions by which the structure and sequence of RNA and proteins dictate the material properties of intracellular condensates, and their implication in cellular dysfunction.

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HORIZON-ERC - HORIZON ERC Grants

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Call for proposal

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(opens in new window) ERC-2024-STG

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Host institution

UNIVERSIDAD COMPLUTENSE DE MADRID
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 1 489 128,00
Address
AVENIDA DE SENECA 2
28040 MADRID
Spain

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Region
Comunidad de Madrid Comunidad de Madrid Madrid
Activity type
Higher or Secondary Education Establishments
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Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

€ 1 489 128,00

Beneficiaries (1)

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