Neural networks in pulsed dipolar spectroscopy: A practical guide.

  title={Neural networks in pulsed dipolar spectroscopy: A practical guide.},
  author={J. Robert Keeley and Tajwar Choudhury and Laura Galazzo and Enrica Bordignon and Akiva Feintuch and Daniella Goldfarb and Hannah Russell and Michael J Taylor and Janet E. Lovett and Andrea Eggeling and Luis F{\'a}bregas Ib{\'a}{\~n}ez and Katharina Keller and Maxim Yulikov and Gunnar Jeschke and Ilya Kuprov},
  journal={Journal of magnetic resonance},
DEER Data Analysis Software: A Comparative Guide
Pulsed dipolar electron paramagnetic resonance (PDEPR) spectroscopy experiments measure the dipolar coupling, and therefore nanometer-scale distances and distance distributions, between paramagnetic


DeerLab: a comprehensive software package for analyzing dipolar electron paramagnetic resonance spectroscopy data.
DeerLab is presented, an open-source software package for analyzing dipolar EPR data that is modular and implements a wide range of methods that can perform one-step analysis based on separable non-linear least squares, fit dipolar multi-pathway models to multi-pulse DEER data, run global analysis with non-parametric distributions, and use a bootstrapping approach to fully quantify the uncertainty in the analysis.
DeerAnalysis2006—a comprehensive software package for analyzing pulsed ELDOR data
Pulsed electron-electron double resonance techniques such as the four-pulse double electron-electron resonance experiment measure a dipolar evolution function of the sample. For a sample consisting
Direct conversion of EPR dipolar time evolution data to distance distributions.
Under these conditions and in the absence of orientational selection, the dipolar time evolution data can be quantitatively simulated for arbitrary radial distribution functions by shell factorization, i.e., by performing the orientational average separately for thin spherical shells and multiplying the signals of all the shells.
Benchmark Test and Guidelines for DEER/PELDOR Experiments on Nitroxide-Labeled Biomolecules.
Quality standards for sample preparation and characterization, for measurements of distributed dipole-dipole couplings between paramagnetic labels, for conversion of the primary time-domain data into distance distributions, for interpreting these distributions, and for reporting results are defined.
A Bayesian approach to quantifying uncertainty from experimental noise in DEER spectroscopy.
Artefact suppression in 5-pulse double electron electron resonance for distance distribution measurements.
A 5-pulse version of the Double Electron Electron Resonance (DEER) experiment with Carr-Purcell delays and an additional pump pulse has been shown to significantly extend the experimentally
The contribution of modern EPR to structural biology
  • G. Jeschke
  • Chemistry
    Emerging topics in life sciences
  • 2018
Electron paramagnetic resonance (EPR) spectroscopy combined with site-directed spin labelling is applicable to biomolecules and their complexes irrespective of system size and in a broad range of
Intermolecular background decay in RIDME experiments.
An analytical calculation of the RIDME background decay in the simple case of two types of randomly distributed spin centers each with total spin S = 1/2 is presented and the obtained equations allow the explaination of the key trends in R IDME experiments on frozen chelated metal ion solutions, and singly spin-labeled proteins.