Data from: Molecular dynamics investigation of gluazo, a photo-switchable ligand for the glutamate receptor GluK2

Guo Y, Wolter T, Kubař T, Sumser M, Trauner D, Elstner M

Date Published: September 3, 2015

DOI: http://dx.doi.org/10.5061/dryad.7r71q

 

Files in this package

Content in the Dryad Digital Repository is offered "as is." By downloading files, you agree to the Dryad Terms of Service. To the extent possible under law, the authors have waived all copyright and related or neighboring rights to this data. CC0 (opens a new window) Open Data (opens a new window)

Title GluK2-trans
Downloaded 2 times
Description The subdirectory /MD includes five free MD simulation trajectories of GluK2-trans complex described in the manuscript. The subdirectory /isomerization includes five forced switching simulation trajectories from trans-gluazo to cis-gluazo. The subdirectory /umbrella-clamshell includes the files needed to reproduce the umbrella sampling simulation results of LBD clamshell motions of GluK2-trans complex. This data file could be used to reproduce all the results of GluK2-trans complex presented in the manuscript.
Download GluK2-trans.tar (907.7 Mb)
Details View File Details
Title GluK2-cis
Downloaded 1 time
Description The subdirectory /MD includes five free MD simulation trajectories of GluK2-cis complex described in the manuscript. The subdirectory /isomerization includes five forced switching simulation trajectories from cis-gluazo to trans-gluazo. The subdirectory /umbrella-clamshell includes the files needed to reproduce the umbrella sampling simulation results of LBD clamshell motions of GluK2-cis complex. This data file could be used to reproduce all the results of GluK2-cis complex presented in the manuscript.
Download GluK2-cis.tar (912.6 Mb)
Details View File Details
Title GluK2-glutamate
Downloaded 1 time
Description The subdirectory /MD includes five free MD simulation trajectories of GluK2-glutamate complex, which are used as references in the manuscript.
Download GluK2-glutamate.tar (806.1 Mb)
Details View File Details

When using this data, please cite the original publication:

Guo Y, Wolter T, Kubař T, Sumser M, Trauner D, Elstner M (2015) Molecular dynamics investigation of gluazo, a photo-switchable ligand for the glutamate receptor GluK2. PLoS ONE 10(8): e0135399. http://dx.doi.org/10.1371/journal.pone.0135399

Additionally, please cite the Dryad data package:

Guo Y, Wolter T, Kubař T, Sumser M, Trauner D, Elstner M (2015) Data from: Molecular dynamics investigation of gluazo, a photo-switchable ligand for the glutamate receptor GluK2. Dryad Digital Repository. http://dx.doi.org/10.5061/dryad.7r71q
Cite | Share
Download the data package citation in the following formats:
   RIS (compatible with EndNote, Reference Manager, ProCite, RefWorks)
   BibTex (compatible with BibDesk, LaTeX)

Search for data

Be part of Dryad

We encourage organizations to: