Project ID: plumID:22.045
Name: Binding mode and mechanism of enzymatic polyethylene terephthalate degradation
Archive: https://github.com/fcolizzi/tfcut2/archive/refs/heads/main.zip
Category: bio
Keywords: metadynamics, TfCut2, PET, HREX, enzymatic polyethylene terephthalate degradation
PLUMED version: 2.4.3
Contributor: Francesco Colizzi
Submitted on: 28 Dec 2022
Publication: unpublished
PLUMED input files
| File | Compatible with |
|---|---|
| plumed-METAD.dat |   |
| plumed-PULL.dat | |
Last tested: 26 Jan 2024, 15:20:02
Project description and instructions
Simulations have been performed with GROMACS 2018.3 and PLUMED 2.4.3. The input files for a metadynamics simulation exploring the catalytic ensemble are provided.
Submission history
[v1] 28 Dec 2022: original submission
Badge
Click on the image below and get the code to add the badge to your website!
