Conformational dynamics of intrinsically disordered proteins

24. November 2014

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.

About HITS

HITS, the Heidelberg Institute for Theoretical Studies, was established in 2010 by physicist and SAP co-founder Klaus Tschira (1940-2015) and the Klaus Tschira Foundation as a private, non-profit research institute. HITS conducts basic research in the natural, mathematical, and computer sciences. Major research directions include complex simulations across scales, making sense of data, and enabling science via computational research. Application areas range from molecular biology to astrophysics. An essential characteristic of the Institute is interdisciplinarity, implemented in numerous cross-group and cross-disciplinary projects. The base funding of HITS is provided by the Klaus Tschira Foundation.

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