Self-Organisation: From Molecules to Matter

Objective

This research proposal concerns the theory and computer simulation of self-organisation to predict properties and to design systems with specified characteristics. The key computational challenge is to explore the energy landscape for complex systems and make predictions to characterise efficient self-organisation on experimental time and length scales. Novel methodology is required to overcome the problems of broken ergodicity and rare events. The theoretical framework exploits stationary points of the potential energy landscape to access the required time and length scales. Applications include self-assembly of mesoscopic structures from coarse-grained building blocks and all-atom simulations of conformational changes in specific proteins and nucleic acids.

We aim to establish design principles for efficient self-assembly by developing novel tools for visualising and exploration of the corresponding landscape. Here, a key issue is how the interactions between the constituent particles determine the organisation of the energy landscape. Identifying which features lead to successful self-assembly and which disrupt such ordering will lead to a wide range of important applications, ranging from design of new materials to identifying new anti-viral drugs. The same methodology will be applied to detailed models of specific biomolecules, where self-organisation into alternative structures is associated with disease. Global optimisation will be employed in structure prediction for variable pathogens, such as human influenza virus. Pathways for folding and misfolding of specific proteins and nucleic acids will be characterised using novel rare events methodology, providing insight into intermediates that could serve as potential drug targets.

Fields of science (EuroSciVoc)

CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.

• natural sciences biological sciences biochemistry biomolecules nucleic acids
• natural sciences biological sciences microbiology virology
• natural sciences biological sciences biochemistry biomolecules proteins
• medical and health sciences health sciences infectious diseases RNA viruses influenza
• natural sciences mathematics applied mathematics mathematical model

Programme(s)

Multi-annual funding programmes that define the EU’s priorities for research and innovation.

• FP7-IDEAS-ERC - Specific programme: "Ideas" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)

Topic(s)

Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.

• ERC-AG-PE4 - ERC Advanced Grant - Physical and Analytical Chemical sciences

Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

ERC-2010-AdG_20100224
See other projects for this call

Funding Scheme

Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.

ERC-AG - ERC Advanced Grant

Host institution

Beneficiaries (1)