Reconciling Membrane Protein Simulations with Experimental DEER
![Reconciling Membrane Protein Simulations with Experimental DEER](https://shuklagroup.org/wp-content/uploads/2023/02/Mittal_PCCP_2023.png)
![](https://www.researchgate.net/publication/327297568/figure/fig5/AS:665165129322498@1535599133107/A-Cross-validated-scores-for-4300-possible-DEER-residue-pair-sets-The-red-line-is-the.png)
A) Cross-validated scores for 4300 possible DEER residue-pair sets.
![](https://ars.els-cdn.com/content/image/1-s2.0-S1047847720300824-fx2.jpg)
Cross-linking, DEER-spectroscopy and molecular dynamics confirm the inward facing state of P-glycoprotein in a lipid membrane - ScienceDirect
![](https://pubs.acs.org/cms/10.1021/jacs.1c07371/asset/images/large/ja1c07371_0006.jpeg)
Benchmark Test and Guidelines for DEER/PELDOR Experiments on Nitroxide-Labeled Biomolecules
![](https://ars.els-cdn.com/content/image/1-s2.0-S1047847720300824-gr3.jpg)
Cross-linking, DEER-spectroscopy and molecular dynamics confirm the inward facing state of P-glycoprotein in a lipid membrane - ScienceDirect
![](https://pubs.rsc.org/image/article/2023/CP/d2cp02890e/d2cp02890e-f2_hi-res.gif)
Reconciling membrane protein simulations with experimental DEER spectroscopy data - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D2CP02890E
![](https://ars.els-cdn.com/content/image/1-s2.0-S1074761318302991-fx1.jpg)
DEER Spectroscopy Measurements Reveal Multiple Conformations of HIV-1 SOSIP Envelopes that Show Similarities with Envelopes on Native Virions - ScienceDirect
![](https://www.researchgate.net/publication/347866618/figure/fig1/AS:975045035831296@1609480260057/A-Violin-plot-shows-distance-distributions-for-five-intracellular-residue-pair_Q320.jpg)
PDF) Reconciling Membrane Protein Simulations with Experimental DEER Spectroscopy Data
![](https://www.science.org/cms/10.1126/sciadv.abn6845/asset/411d42de-26a6-49fc-b55f-8ccd3b745aae/assets/images/large/sciadv.abn6845-f4.jpg)
The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells
![](https://www.researchgate.net/profile/Diwakar-Shukla/publication/367403734/figure/fig1/AS:11431281114768791@1674655899084/Experimentally-characterized-residue-pair-distance-distributions-as-observed-in-our-MD_Q320.jpg)
PDF) Reconciling Membrane Protein Simulations with Experimental DEER Spectroscopy Data
![](https://media.springernature.com/m685/springer-static/image/art%3A10.1038%2Fs41596-019-0182-2/MediaObjects/41596_2019_182_Fig2_HTML.png)
In situ observation of conformational dynamics and protein ligand–substrate interactions in outer-membrane proteins with DEER/PELDOR spectroscopy
![](https://pubs.acs.org/cms/10.1021/bi4009984/asset/images/medium/bi-2013-009984_0001.gif)
DEER EPR Measurements for Membrane Protein Structures via Bifunctional Spin Labels and Lipodisq Nanoparticles
![](https://shuklagroup.org/wp-content/uploads/2021/12/graphical_abstract.png)
Methods – Shukla Group
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A facile approach for the in vitro assembly of multimeric membrane transport proteins