Theoretical studies of molecular mechanisms of abnormal protein aggregation

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Many proteins undergo conformational change and association as part of their physiological behavior. However, some proteins share a tendency to abnormal aggregation and form amyloid fibrils leading to disorders such as Alzheimer's and variant Creutzfeldt-Jacob diseases. Insulin, one such protein, has a high propensity to aggregate and form fibrils creating difficulties in preparation, storage and application. Using advanced theoretical modelling techniques we will gain insight into the molecular mechanism of fibrillation by investigating the formation of insulin aggregates. An improved understanding of the essential mechanism of protein aggregation will allow the rational design of new drugs.