Project ID: plumID:21.040
Name: A structural ensemble of a tau-microtubule complex reveals regulatory tau phosphorylation and acetylation mechanisms
Category: bio
Keywords: EMMI, CryoEM, tau-microtubules, post-translational modifications, chemical mutagenesis, structural ensemble, Metainference
PLUMED version: 2.6
Contributor: Faidon Brotzakis
Submitted on: 16 Sep 2021
Publication: Z. F. Brotzakis, P. R. Lindstedt, R. J. Taylor, D. J. Rinauro, N. C. T. Gallagher, G. J. L. Bernardes, M. Vendruscolo, A Structural Ensemble of a Tau-Microtubule Complex Reveals Regulatory Tau Phosphorylation and Acetylation Mechanisms. ACS Central Science. 7, 1986–1995 (2021)

PLUMED input files

File Compatible with
PRODUCTION/plumed.dat tested on v2.9 tested on master

Last tested: 28 Feb 2024, 06:51:44

Project description and instructions
The deposited input files contain the following directories. 1) The “TOPO_MDP” directory containing the GROMACS topology and parameter files. 2) The “PRODUCTION” directory containing the plumed input file for EMMI and the associated companion files such as an index file, data GMM file (MT_TAU.dat) More information can be found here. GROMACS 2018.6 double precision patched with PLUMED 2.6.0-dev was used.

Submission history
[v1] 16 Sep 2021: original submission

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