Project ID: plumID:19.010
Name: Multi-domain protein dynamics
Archive: https://github.com/carlocamilloni/papers-data/raw/master/zip-for-nest/2018/weber2018_LC.zip
Category: bio
Keywords: metainference, NMR, protein dynamics
PLUMED version: 2.4
Contributor: Carlo Camilloni
Submitted on: 16 Apr 2019
Publication: B. Weber, M. Hora, P. Kazman, C. Göbl, C. Camilloni, B. Reif, J. Buchner, The Antibody Light-Chain Linker Regulates Domain Orientation and Amyloidogenicity. Journal of Molecular Biology. 430, 4925–4940 (2018)
PLUMED input files
| File | Compatible with |
|---|---|
| r108a/plumed-mm.dat |   |
| r108a/plumed-orient.dat | |
| wt/plumed-mm.dat | |
| wt/plumed-orient.dat | |
Last tested: 22 Apr 2025, 10:25:45
Project description and instructions
this is a metadynamic metainference calculation using residual dipolar coupling to infere the interdomain dynamics of a two domain proteins. There are two proteins (wt and a mutant). the protoctol is in two step, first with plumed-orient.dat ones generate a good starting condition for the replicas such as that the agreement with RDCs is ok, then the proper sampling begins.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 16 Apr 2019: original submission
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