Data for: Deciphering supramolecular nucleopeptide-based hydrogel formation through unique combination of NMR methods and molecular dynamics simulations

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Authors: Corentin Boulogne, Jérémy Morere, Noée Sigalas, Paul Hoschtettler, Emmanuelle Bignon, Marie‐Christine Averlant‐Petit, Loïc Stefan, Sabine Bouguet‐Bonnet, Carole Gardiennet
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Abstract

Trajectory and topology files for the 10 MD replicas generated. TCL and python scripts for the analysis of PNA-specific interactions and columns counting along the simulation.

Fields of Study & Subjects

Supramolecular Self-Assembly in Materials Advanced biosensing and bioanalysis techniques DNA and Nucleic Acid Chemistry

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
1 January 2026
Document type
Dataset