Objective
DNA replication is at the core of life and strongly appeals to the imagination. It is also a textbook example of template directed synthesis, involving enzyme-assisted molecular recognition of incoming bases by the template strand. Yet, in spite of much effort, many fundamental questions about its mechanism are open. In this research line, using a quantumchemical approach, we aim at two main objectives: (1) understanding the electronic nature of molecular recognition in DNA base pairs, in artificial mimics thereof and in larger, macromolecular aggregates of related systems; (2) unravelling the mechanism of the highly accurate, enzyme-assisted DNA replication and, in particular, understanding the role of hydrogen bonding, steric factors and solvent effects in this multistep process. The two subprojects are intimately connected and reinforce each other. We wish to explore the possibilities of rationally designing monomers whose capability to undergo self-organization can be switched on or off chemically (by a third agent) or physically (by radiation). Potential applications are the controlled and selective formation of macromolecules, nanostructures and materials. Furthermore, a better knowledge and so tuning and control of the DNA replication process is envisaged. On the long term, we hope to contribute to the development in general of quantumchemical approaches to biologically relevant problems, i.e. quantumbiology. Our computations are mostly based on density functional theory (DFT) but also on high-level ab initio theory as well as molecular mechanics (MM). Extensive validation studies, by others and us, have shown that DFT is the method of choice, both in terms of efficiency and accuracy, for large biochemically relevant molecules that involve hydrogen bonding. Our approach furthermore involves the application and further development of hybrid QM/MM techniques for tackling realistic model systems of the template–primer–enzyme complex involved in replication.
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: https://op.europa.eu/en/web/eu-vocabularies/euroscivoc.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: https://op.europa.eu/en/web/eu-vocabularies/euroscivoc.
- natural sciences biological sciences genetics DNA
- natural sciences biological sciences biochemistry biomolecules proteins enzymes
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
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.
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.
Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
FP7-PEOPLE-2007-2-2-ERG
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.
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.
Coordinator
17004 Girona
Spain
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.