Project ID: plumID:24.023
Name: Investigating Ligand-Mediated Conformational Dynamics of Pre-miR21. A Machine-Learning-Aided Enhanced Sampling Study
Archive: https://github.com/valeriorizzi/miRNA/archive/main.zip (browse)
Category: bio
Keywords: RNA, miRNA, OneOPES, ligand binding, conformational changes
PLUMED version: 2.9
Contributor: Valerio Rizzi
Submitted on: 22 Oct 2024
Last revised: 16 Jul 2025
Publication: S. Aureli, F. Bellina, V. Rizzi, F. L. Gervasio, Investigating Ligand-Mediated Conformational Dynamics of Pre-miR21: A Machine-Learning-Aided Enhanced Sampling Study. Journal of Chemical Information and Modeling. 64, 8595–8603 (2024)
PLUMED input files
Last tested: 25 Jul 2025, 11:39:23
Project description and instructions
The simulations were run with GROMACS 2023.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 22 Oct 2024: original submission
[v2] 16 Jul 2025: updated reference
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