PLUMED-NEST

Project ID: plumID:22.000
Name: Amyloid precursor protein processing by human γ-secretase
Archive: https://github.com/Xiaoli-Lu/APP-PS1/raw/master/plumed-nest-data/APP-PS1_BEMD.zip
Category: bio
Keywords: Bias Exchange Metadynamics, Helix unfolding, coupled binding
PLUMED version: 2.5
Contributor: Xiaoli Lu
Submitted on: 01 Jan 2022
Publication: X. Lu, J. Huang, A thermodynamic investigation of amyloid precursor protein processing by human γ-secretase. Communications Biology. 5 (2022)

PLUMED input files

File	Compatible with
plumed-1.0.dat
plumed-1.1.dat
plumed-1.2.dat
plumed-1.3.dat
plumed-1.4.dat
plumed-1.5.dat
plumed-1.6.dat
plumed-1.7.dat
plumed-2.0.dat
plumed-2.1.dat
plumed-2.2.dat
plumed-2.3.dat
plumed-3.0.dat
plumed-3.1.dat
plumed-3.2.dat
plumed-common-1.dat
plumed-common-2.dat
plumed-common-3.dat

Last tested: 23 Apr 2025, 10:15:20

Project description and instructions
Input files for BEMD simulations. Simulations were performed with GROMACS 2018 and PLUMED 2.5. Example .mdp files provided in the archive.

Submission history
[v1] 01 Jan 2022: original submission

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