Conformational dynamics of intrinsically disordered proteins

Intrinsically disordered proteins (IDPs) lack, by definition, of a well-defined three-dimensional structure and therefore explore a much larger conformational ensemble with respect to structured proteins. Nevertheless, as for structured proteins, understanding the conformational dynamics of IDPs is key to comprehend their functional features in solution. Despite of the progresses made to sample the conformational dynamics of IDPs by means of computer simulations, the computationally-derived ensembles still lack a full match with experiments. This projects develops around the idea of understanding the determinants of such mismatches and improving our current ability to sample IDPs dynamics with computer simulations.