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 centers. Of the family of PDEPR experiments, the most commonly used pulsed sequence is four-pulse dou...
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2022-06-01
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| Series: | Frontiers in Molecular Biosciences |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fmolb.2022.915167/full |
| _version_ | 1818553752237375488 |
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| author | Hannah Russell Robyn Cura Janet E. Lovett |
| author_facet | Hannah Russell Robyn Cura Janet E. Lovett |
| author_sort | Hannah Russell |
| collection | DOAJ |
| description | Pulsed dipolar electron paramagnetic resonance (PDEPR) spectroscopy experiments measure the dipolar coupling, and therefore nanometer-scale distances and distance distributions, between paramagnetic centers. Of the family of PDEPR experiments, the most commonly used pulsed sequence is four-pulse double electron resonance (DEER, also known as PELDOR). There are several ways to analyze DEER data to extract distance distributions, and this may appear overwhelming at first. This work compares and reviews six of the packages, and a brief getting started guide for each is provided. |
| first_indexed | 2024-12-12T09:29:55Z |
| format | Article |
| id | doaj.art-3e65f6c0bbf84736b753e6a76cde75b5 |
| institution | Directory Open Access Journal |
| issn | 2296-889X |
| language | English |
| last_indexed | 2024-12-12T09:29:55Z |
| publishDate | 2022-06-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Molecular Biosciences |
| spelling | doaj.art-3e65f6c0bbf84736b753e6a76cde75b52022-12-22T00:28:53ZengFrontiers Media S.A.Frontiers in Molecular Biosciences2296-889X2022-06-01910.3389/fmolb.2022.915167915167DEER Data Analysis Software: A Comparative GuideHannah RussellRobyn CuraJanet E. LovettPulsed dipolar electron paramagnetic resonance (PDEPR) spectroscopy experiments measure the dipolar coupling, and therefore nanometer-scale distances and distance distributions, between paramagnetic centers. Of the family of PDEPR experiments, the most commonly used pulsed sequence is four-pulse double electron resonance (DEER, also known as PELDOR). There are several ways to analyze DEER data to extract distance distributions, and this may appear overwhelming at first. This work compares and reviews six of the packages, and a brief getting started guide for each is provided.https://www.frontiersin.org/articles/10.3389/fmolb.2022.915167/fullEPR/ESRDEER/PELDORpulsed dipolar spectroscopyDeerAnalysisDEERNetTikhonov regularization |
| spellingShingle | Hannah Russell Robyn Cura Janet E. Lovett DEER Data Analysis Software: A Comparative Guide Frontiers in Molecular Biosciences EPR/ESR DEER/PELDOR pulsed dipolar spectroscopy DeerAnalysis DEERNet Tikhonov regularization |
| title | DEER Data Analysis Software: A Comparative Guide |
| title_full | DEER Data Analysis Software: A Comparative Guide |
| title_fullStr | DEER Data Analysis Software: A Comparative Guide |
| title_full_unstemmed | DEER Data Analysis Software: A Comparative Guide |
| title_short | DEER Data Analysis Software: A Comparative Guide |
| title_sort | deer data analysis software a comparative guide |
| topic | EPR/ESR DEER/PELDOR pulsed dipolar spectroscopy DeerAnalysis DEERNet Tikhonov regularization |
| url | https://www.frontiersin.org/articles/10.3389/fmolb.2022.915167/full |
| work_keys_str_mv | AT hannahrussell deerdataanalysissoftwareacomparativeguide AT robyncura deerdataanalysissoftwareacomparativeguide AT janetelovett deerdataanalysissoftwareacomparativeguide |