Scientist-in-Charge	M. Vendruscolo
University of Cambridge Department of Chemistry Lensfield Road CB2 1EW Cambridge UK
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Links
UCAM www.cam.ac.uk

Short description about UCAM
Michele Vendruscolo has made seminal contributions to the development of methods that combine NMR measurements and molecular dynamics simulations for the determination of ensembles of structures representing the conformational heterogeneity of disordered proteins.

Role
Contribution to research and training in advanced computational approaches to study IDPs. Leader of WP4.

Key competences and facilities
Michele Vendruscolo has developed methods for using NMR measurements as ensemble-average restraints in molecular dynamics simulations of disordered proteins. In particular, this approach has led to the determination of the conformations populated by alpha-synuclein in its monomeric form, as well as to the demonstration that these conformations can be used in rational design strategies to identify compounds capable of altering the aggregation behaviour of this protein. Facilities in Cambridge include four computer clusters (total of 300 nodes), which will be fully available to PhD students.

Key persons
Michele Vendruscolo (supervision of research and training, provide expertise in computational approaches to study IDPs), Alfonso De Simone and  Rinaldo Montalvao (postdocs).

Previous training programs and research
Michele Vendruscolo has an extensive experience in training PhD students. The University of Cambridge provides frontier models of training at the Graduate School level, that will be discussed within the network.