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 et al., 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 v2.6 tested on master
r108a/plumed-orient.dat tested on v2.6 tested on master
wt/plumed-mm.dat tested on v2.6 tested on master
wt/plumed-orient.dat tested on v2.6 tested on master

Last tested: 02 Jul 2020, 15:32:25

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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