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 |   |
| CCR5_dimer/plumed_CCR5_dimer.dat | |
| CXCR4_dimer/plumed_CXCR4_dimer.dat | |
Last tested: 23 Apr 2025, 10:13:28
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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