Project ID: plumID:21.012
Name: NMR-Guided Rational Engineering of Endocellulase from Acidothermus Cellulolyticus for Reducing Product Inhibition
Archive: https://zenodo.org/record/6484952/files/plumed-nest.zip
Category: bio
Keywords: funnel metadynamics
PLUMED version: 2.7
Contributor: Jim Pfaendtner
Submitted on: 20 Mar 2021
Last revised: 29 Mar 2021
Publication: S. R. Summers, S. Alamdari, C. J. Kraft, R. Brunecky, J. Pfaendtner, J. L. Kaar, Substitution of distal and active site residues reduces product inhibition of E1 from Acidothermus Cellulolyticus. Protein Engineering, Design and Selection. 34 (2021)
PLUMED input files
| File | Compatible with |
|---|---|
| plumed-nest/w212a/plumed.dat |   |
| plumed-nest/wild/plumed.dat | |
| plumed-nest/y245g/plumed.dat | |
Last tested: 22 Apr 2025, 10:11:18
Project description and instructions
These simulations were run using GROMACS 2018.3, and PLUMED 2.3 compiled with funnel metadynamics files.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 20 Mar 2021: original submission
[v2] 29 Mar 2021: updated link
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