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 tested on v2.6 tested on master

Last tested: 13 Dec 2019, 20:33:38

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).

Submission history
[v1] 06 May 2019: original submission
[v2] 11 Jun 2019: update syntax to PLUMED2

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plumeDnest:19.030