Project ID: plumID:23.014
Name: Structural basis of dimerization of chemokine receptors CCR5 and CXCR4
Archive: https://github.com/limresgrp/chemokine_receptors_oligomerization/raw/main/plumed_input.zip
Category: bio
Keywords: metadynamics, oligomerization, chemokine receptors, GPCR, membrane
PLUMED version: 2.3
Contributor: Vittorio Limongelli
Submitted on: 24 Mar 2023
Publication: D. Di Marino, P. Conflitti, S. Motta, V. Limongelli, Structural basis of dimerization of chemokine receptors CCR5 and CXCR4. Nature Communications. 14 (2023)

PLUMED input files

File Compatible with
CCR5-CXCR4_dimer/plumed_CCR5_CXCR4.dat tested on v2.9 tested on master
CCR5_dimer/plumed_CCR5_dimer.dat tested on v2.9 tested on master
CXCR4_dimer/plumed_CXCR4_dimer.dat tested on v2.9 tested on master

Last tested: 26 Feb 2024, 07:16:31

Project description and instructions
MD simulations can be performed using GROMACS 5.1 or later patched with PLUMED 2.3 and using the following command. gmx mdrun -v -deffnm prod -plumed plumed_{dimer_name}.dat

Submission history
[v1] 24 Mar 2023: original submission

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plumeDnest:23.014