9 Dec
2023
9 Dec
'23
1:40 a.m.
Hi,
I'm very new to IMP and have perhaps a naive question. We are working on a protein that is partially intrinsically disordered. We have a conformational ensemble that nicely fits to SAXS data set, but our aim is to include data from other methods to refine the ensemble. We have CD spectroscopy data and CCS from ion mobility MS. We were wondering whether IMP is suited to calculate the conformational ensemble using all three data sources (SAXS, CD spectroscopy, CCS by ion mobility MS) as input restraints? Clearly, IMP can handle the SAXS, but handling of CD and CCS was less clear to us.
Thank you and best wishes,
Yann