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

The Heidelberg Institute for Theoretical Studies (HITS) was established in 2010 by the 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 sciences, mathematics and computer science, with a focus on the processing, structuring, and analyzing of large amounts of complex data and the development of computational methods and software. The research fields range from molecular biology to astrophysics. The shareholders of HITS are the HITS-Stiftung, which is a subsidiary of the Klaus Tschira Foundation, Heidelberg University and the Karlsruhe Institute of Technology (KIT). HITS also cooperates with other universities and research institutes and with industrial partners. The base funding of HITS is provided by the HITS Stiftung with funds received from the Klaus Tschira Foundation. The primary external funding agencies are the Federal Ministry of Education and Research (BMBF), the German Research Foundation (DFG), and the European Union.

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