Published October 3, 2022
| Version Version 1.0
Dataset
Open
Molecular dynamics simulations with grand-canonical reweighting suggest cooperativity effects in RNA structure probing experiments
Authors/Creators
- 1. University of Trieste
- 2. Italian Institute of Technology
- 3. Helmoltz Zentrum München
- 4. International School for Advanced Studies
Description
Molecular dynamics simulations of an RNA GAAA tetraloop interacting with SHAPE reagent 1-Methyl-7-nitroisatoic anhydride (1m7) in different numer of copies (1 to 19). See also https://arxiv.org/abs/2209.12640 and https://github.com/bussilab/paper-shapemd.
Notes
Water molecules and ions are excluded from trajectory files, a posteriori. They are included in the topology files.
Files
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