Project ID: plumID:24.012
Name: Molecular simulations to investigate the impact of N6-methylation in RNA recognition
Archive: https://github.com/bussilab/m6a-charge-fitting/archive/master.zip (browse)
Category: bio
Keywords: metadynamics, alchemistry, RNA modification, RNA:protein interactions
PLUMED version: 2.9
Contributor: Giovanni Bussi
Submitted on: 21 May 2024
Last revised: 23 Apr 2025
Publication: V. Piomponi, M. Krepl, J. Sponer, G. Bussi, Molecular Simulations to Investigate the Impact of N6-Methylation in RNA Recognition: Improving Accuracy and Precision of Binding Free Energy Prediction. The Journal of Physical Chemistry B. 128, 8896–8907 (2024)
PLUMED input files
| File | Compatible with |
|---|---|
| AFEC_YTH_example/plumed.dat |   |
Last tested: 23 Apr 2025, 10:17:39
Project description and instructions
Input file for metadynamics simulation is located in directory AFEC_YTH_example/plumed.dat.
Submission history
[v1] 21 May 2024: original submission
[v2] 23 Apr 2025: updated doi
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