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Theoretical and experimental study of molecular mechanisms of protein folding, misfolding and aggregation and their possible connection with diseases

Ziel

Protein folding problem is one of the most challenging issues in biophysical sciences. During the past few years it was shown that some diseases are connected with protein misfolding and formation of insoluble aggregates called amyloid plaques. These processes may be associated with several diseases like Alzheimer's disease, Parkinson's disease, Creutzfeldt-Jacob's disease and even certain forms of cancer.

The main objective of the present research project is to gain a deeper insight into the molecular mechanisms of protein folding and misfolding, and the mechanical properties of some correctly folded proteins (especially those rich in a-helices) and misfolded-like proteins (rich in ß-sheets), as well as into amyloid aggregation. This will be done using detailed atomistic and coarse-grained models, as well as experiment. We firmly believe that such combined experimental, theoretical and simulation study is the only route for understanding of molecular mechanisms of many diseases.

Main goals of present project are:
- Development of theories, models and simulation methods suitable to describe the protein folding, including folding of three-state proteins, and predict the experiment.
- Development of theory, models and simulation methods for description of mechanical unfolding of proteins consisting of different structural elements (rich in a-helices and rich in ß-sheets).
- Elaboration of theory of amyloid aggregation, and experimental examination of the main theoretical conclusions.

We propose to bring together five leading scientific groups: two experts in analytical theory, two experts in simulation and one experimental group. Theory and computer simulation of protein folding and misfolding will approach the protein folding through multi-scale molecular modelling while the experimental group will examine the main theoretical predictions. The key point of these investigations will be to use different resolutions: analytical theories and coarse-grained modelling to obtain basic information on molecular mechanisms of protein folding at a large scale, molecular dynamics (MD) simulations and experiment to obtain detailed information on structure and molecular mechanisms of protein folding.

The main scientific outcome of the proposed research will be important for the general understanding of the molecular mechanisms of protein folding, misfolding and amyloid aggregation leading to many diseases.

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UNIVERSITY OF LEEDS
EU-Beitrag
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Adresse
WOODHOUSE LANE
LEEDS
Vereinigtes Königreich

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Beteiligte (3)