PLUMED-NEST

Project ID: plumID:26.017
Name: Vasopressin V2 receptor phosphopeptide reshapes the conformational landscape of arrestin-2 beyond C-tail detachment
Archive: https://github.com/saureli/Beta-arrestin_activation/archive/refs/heads/main.zip
Category: bio
Keywords: Arrestin, GPCR, OneOPES, conformational changes, allostery
PLUMED version: 2.9.1
Contributor: Simone Aureli
Submitted on: 09 Nov 2026
Publication: unpublished

PLUMED input files

File	Compatible with
C-tail_detachment/0/plumed.dat
C-tail_detachment/1/plumed.dat
C-tail_detachment/2/plumed.dat
C-tail_detachment/3/plumed.dat
C-tail_detachment/4/plumed.dat
C-tail_detachment/5/plumed.dat
C-tail_detachment/6/plumed.dat
C-tail_detachment/7/plumed.dat
interdomain_rotation/APO/0/plumed.dat
interdomain_rotation/APO/1/plumed.dat
interdomain_rotation/APO/2/plumed.dat
interdomain_rotation/APO/3/plumed.dat
interdomain_rotation/APO_detached/0/plumed.dat
interdomain_rotation/APO_detached/1/plumed.dat
interdomain_rotation/APO_detached/2/plumed.dat
interdomain_rotation/APO_detached/3/plumed.dat
interdomain_rotation/HOLO/0/plumed.dat
interdomain_rotation/HOLO/1/plumed.dat
interdomain_rotation/HOLO/2/plumed.dat
interdomain_rotation/HOLO/3/plumed.dat

Last tested: 09 Nov 2026, 13:54:39

Project description and instructions
The simulations were run with GROMACS 2023 and PLUMED 2.9.1

Click here to open manual pages for actions used in this project.

Submission history
[v1] 09 Nov 2026:

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