Beräkningar för strukturell masspektrometri

Tidsperiod: 2016-01-01 till 2018-12-31

Projektledare: Erik Marklund

Finansiär: Vetenskapsrådet

Bidragstyp: Bidrag för anställning eller stipendier

Budget: 5 693 751 SEK

The structure and dynamics of biomolecules are intimately coupled to biological function, and numerous diseases are rooted in biomolecular structure. Functionally important conformational states are often difficult to assess with traditional approaches, especially for membrane proteins. Because of recent technological advances, mass-spectrometry offers, especially when coupled to ion-mobility spectrometry, an avenue for interrogation of macromolecular structure also in transient conformations. Partly for this reason, mass spectrometry has been identified as an essential part of molecular life sciences. A structural interpretation of mass-spectrometric data requires advanced modelling however, and current approaches are limiting the amount of useful information that can be extracted from experiments. This proposal aims to bridge the gap between theory and experiments by developing new tools and methods that take mass-spectrometric data as part of their input, and harnessing them to interrogate two medically important membrane proteins and to augment interpretation of experiments. The proposed research will lead to a deeper understanding of macromolecular structure and dynamics, and of how mass spectrometry can be used for its study.