Project ID: plumID:21.027
Name: EGFR activating mutations mechanism
Category: bio
Keywords: metadynamics, well-tempered ensemble, Parallel-tempering, EGFR, L858R, A763-Y764insFQEA, D770-N771insNPG, Delta-ELREA
PLUMED version: 2.4
Contributor: Francesco Gervasio
Submitted on: 28 Jun 2021
Last revised: 04 Aug 2021
Publication: I. Galdadas, L. Carlino, R. A. Ward, S. J. Hughes, S. Haider, F. L. Gervasio, Structural basis of the effect of activating mutations on the EGF receptor. eLife. 10 (2021)

PLUMED input files

File Compatible with
A763-Y764insFQEA/plumed.dat tested on v2.9 tested on master
D770-N771insNPG/plumed.dat tested on v2.9 tested on master
L858R/plumed.dat tested on v2.9 tested on master
WT/plumed.dat tested on v2.9 tested on master
delE746-A750/plumed.dat tested on v2.9 tested on master

Last tested: 26 Feb 2024, 07:28:18

Project description and instructions
The simulations were run with Gromacs 2018.3 simulation engine.

Submission history
[v1] 28 Jun 2021: original submission
[v2] 04 Aug 2021: updated doi

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