Project ID: plumID:25.007
Name: Shaping the glycan landscape. Hidden relationships between linkage and ring distortion induced by carbohydrate-active enzmyes
Archive: https://github.com/IsabellGrothaus/Data_repository/raw/main/Grothaus_et_al_2025_CAZymes_PLUMED.zip
Category: bio
Keywords: REST-RECT, REST2, glycan, enzyme, CAZyme, steered
PLUMED version: 2.8
Contributor: Isabell Grothaus
Submitted on: 12 Feb 2025
Publication: unpublished
PLUMED input files
| File | Compatible with |
|---|---|
| plumed_M5G0+MII.dat |   |
| plumed_M5G0+MII_steer_conformer.dat | |
| plumed_M5G0+MII_steer_theta.dat | |
| plumed_M5G0.dat | |
| plumed_M5G0_restrain.dat | |
Last tested: 22 Apr 2025, 09:53:41
Project description and instructions
Example plumed.dat files to perform REST-RECT simulations of glycans in solution or bound as substrate to their respective enzyme. GROMACS 2022 was used.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 12 Feb 2025: original submission
Badge
Click on the image below and get the code to add the badge to your website!
