Project ID: plumID:19.002
Name: EMMI STRA6
Archive: https://github.com/maxbonomi/plumed-nest-data/raw/master/projects-2018/EMMI-STRA6.zip
Category: bio
Keywords: metainference, cryo-EM
PLUMED version: 2.6-dev
Contributor: Max Bonomi
Submitted on: 11 Apr 2019
Last revised: 06 May 2019
Publication: M. Bonomi, R. Pellarin, M. Vendruscolo, Simultaneous Determination of Protein Structure and Dynamics Using Cryo-Electron Microscopy. Biophysical Journal. 114, 1604–1613 (2018)
PLUMED input files
| File | Compatible with |
|---|---|
| EMMI-STRA6/PRODUCTION/plumed.dat |   |
Last tested: 17 Apr 2024, 07:32:50
Project description and instructions
Metainference is used to model a conformational ensemble of the STRA6 membrane receptor using a 3.9-Ang-resolution cryo-EM density map. The archive contains the GROMACS input files (SETUP directory, GROMACS v. 4.5.7), along with the PLUMED input files (PRODUCTION directory). These files have been updated to work with PLUMED version > 2.5.
Submission history
[v1] 11 Apr 2019: original submission
[v2] 06 May 2019: updated description
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