Project ID: plumID:19.030
Name: Coarse-Grained MetaDynamics (CG-MetaD)
Archive: https://drive.google.com/uc?export=download&id=1DVlbhd6rSwwjp8sTlrDdQdpfN2ljnqeg
Category: bio
Keywords: Coarse-grained, metadynamics, protein-protein interaction, protein-protein binding free energy
PLUMED version: 2.5.1
Contributor: Vittorio Limongelli
Submitted on: 06 May 2019
Last revised: 11 Jun 2019
Publication: M. Lelimousin, V. Limongelli, M. S. P. Sansom, Conformational Changes in the Epidermal Growth Factor Receptor: Role of the Transmembrane Domain Investigated by Coarse-Grained MetaDynamics Free Energy Calculations. Journal of the American Chemical Society. 138, 10611–10622 (2016)
PLUMED input files
| File | Compatible with |
|---|---|
| plumed_2.dat |   |
Last tested: 22 Apr 2025, 10:19:00
Project description and instructions
Sample input of Coarse-Grained MetaDynamics (CG-MetaD) simulations on the transmembrane helices of the EGFR receptors (see for details Lelimousin, Limongelli, Sanson, JACS, 2016, 38, 10611–10622).
Click here to open manual pages for actions used in this project.
Submission history
[v1] 06 May 2019: original submission
[v2] 11 Jun 2019: update syntax to PLUMED2
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