Objective
Biocatalysis is based on the application of natural catalysts for new purposes, for which the enzymes were not designed. Although the first examples of biocatalysis were reported more than a century ago, biocatalysis was revolutionized after the discovery of an in vitro version of Darwinian evolution called Directed Evolution (DE). Despite the recent advances in the field, major challenges remain to be addressed. Up to date, the best experimental approach consists of creating multiple mutations simultaneously but limit the choices using statistical methods. Still, tens of thousands of variants need to be tested experimentally. In addition to that, little information is available as to how these mutations lead to enhanced enzyme proficiency. Significant advances in computational tools have enabled the de novo design of enzymes catalyzing unnatural reactions making use of the so-called inside-out computational protocol developed by the groups of Prof. Baker and Prof. Houk. Despite the initial computational successes, the most active computationally designed enzymes still perform quite poorly in comparison with the natural and DE-engineered enzymes. This project aims to computationally unveil the molecular basis of improved catalysis achieved by Directed Evolution. In particular, quantum mechanics, Molecular Dynamics simulations, and QM/MM strategies will be used to study some selected DE-engineered enzymes. The strengths and weaknesses of the current version of the computational protocol will be explored, and a more efficient approach will be proposed. The development of more robust computational methods to predict amino-acid changes needed for activity is of the utmost importance as the need for experimentally probing randomized sequences would be greatly reduced, rendering the route to novel biocatalysts much more efficient. This might represent a cheap and environmentally friendly alternative for industries to produce active catalysts for any desired target.
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 physical sciences quantum physics
- natural sciences computer and information sciences computational science
- natural sciences biological sciences genetics mutation
- natural sciences chemical sciences catalysis biocatalysis
- natural sciences biological sciences biochemistry biomolecules proteins enzymes
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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-2013-CIG
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.
MC-CIG - Support for training and career development of researcher (CIG)
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.