Data For Mechanistic Insights into ASO-RNA Complexation: Advancing Antisense Oligonucleotide Design Strategies

Available data from manuscript "Mechanistic Insights into ASO-RNA Complexation: Advancing Antisense Oligonucleotide Design Strategies"

FOLDERS:

1. STRUCTURES

include starting, average and last snapshots

2. RMSD

rmsd for heavy atoms of whole complex, the hairpin (mRNA) and the aso

3. RADGYR

radius of gyration of heavy atoms for the whole complex

4. RMSF

rmsf by residue

5. MOVIE

trajectorie files (.tpr and .xtc) for heavy atoms each 0.5 ns

6. INTERACTIONENERGIES

1) ASO and hairpin nucleobases atoms (ASOBase-hairpinBase; specific interactions), 2) ASO and hairpin backbones atoms (ASOBac-hairpinBac; nonspecific), 3) ASO nucleobases and hairpin backbone atoms (ASOBase-hairpinBac), and 4) ASO backbone and hairpin nucleobases atoms (ASOBac-hairpinBase).

7. HBOND

hydrogen bonds between ASO and hairpin atoms and internal hydrogen bonds for the hairpin

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