From dilute to concentrated solutions of intrinsically disordered proteins: Interpretation and analysis of collected data

Samuel Lenton, Eric Fagerberg, Mark Tully, Marie Skepö

Forskningsoutput: Kapitel i bok/rapport/Conference proceedingKapitel samlingsverkForskningPeer review

Sammanfattning

Intrinsically disordered proteins (IDPs) have a broad energy landscape and consequently sample many different conformations in solution. The innate flexibility of IDPs is exploited in their biological function, and in many instances allows a single IDP to regulate a range of processes in vivo. Due to their highly flexible nature, characterizing the structural properties of IDPs is not straightforward. Often solution-based methods such as Nuclear Magnetic Resonance (NMR), Förster Resonance Energy Transfer (FRET), and Small-Angle X-ray Scattering (SAXS) are used. SAXS is indeed a powerful technique to study the structural and conformational properties of IDPs in solution, and from the obtained SAXS spectra, information about the average size, shape, and extent of oligomerization can be determined. In this chapter, we will introduce model-free methods that can be used to interpret SAXS data and introduce methods that can be used to interpret SAXS data beyond analytical models, for example, by using atomistic and different levels of coarse-grained models in combination with molecular dynamics (MD) and Monte Carlo simulations.

Originalspråkengelska
Titel på värdpublikationSmall Angle Scattering Part B: Methods for Structural Interpretation
RedaktörerJohn A. Tainer
FörlagAcademic Press
Sidor299-330
Antal sidor32
ISBN (elektroniskt)978-0-323-99181-0
DOI
StatusPublished - 2023

Publikationsserier

NamnMethods in Enzymology
Volym678
ISSN (tryckt)0076-6879
ISSN (elektroniskt)1557-7988

Ämnesklassifikation (UKÄ)

  • Teoretisk kemi

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