DEER data analysis software: a comparative guide

Hannah Russell, Robyn Cura, Janet E. Lovett*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)
26 Downloads (Pure)

Abstract

Pulsed Dipolar Spectroscopy (PDS) Electron Paramagnetic Resonance (EPR) experiments are popular techniques to measure dipolar coupling and therefore nanometre-scale distances and distance distributions between paramagnetic centres. The most common experiment is Double Electron Electron Resonance (DEER, also known as PELDOR), which is a well-tested and documented experiment. Until recently there were few methods to analyze data, however this has changed of late. The current plethora of DEER analysis packages may appear overwhelming to a new practitioner of DEER. In this work, six of the most popular packages are reviewed. This includes a brief guide for getting started with the environments, and qualitative testing and comparison of each using both simulated and experimental DEER data.
Original languageEnglish
Article number915167
Number of pages17
JournalFrontiers in Molecular Biosciences
Volume9
DOIs
Publication statusPublished - 1 Jun 2022

Keywords

  • EPR/ESR
  • DEER/PELDOR
  • Pulsed dipolar spectroscopy
  • DeerAnalysis
  • DEERnet
  • Tikhonov regularization
  • Neural networks
  • Gaussian models

Fingerprint

Dive into the research topics of 'DEER data analysis software: a comparative guide'. Together they form a unique fingerprint.

Cite this