Project ID: plumID:19.010
Name: Multi-domain protein dynamics
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 tested on v2.9 tested on master
r108a/plumed-orient.dat tested on v2.9 tested on master
wt/plumed-mm.dat tested on v2.9 tested on master
wt/plumed-orient.dat tested on v2.9 tested on master

Last tested: 28 Feb 2024, 07:02:57

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.

Submission history
[v1] 16 Apr 2019: original submission

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