Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes"
Creators
- 1. Department of Chemical Sciences, Tezpur University, Napaam-784028, Sonitpur, Assam, India.
- 2. Medical & Bioinformatics Applications Group, Centre for Development of Advanced Computing (C-DAC), Panchavati, Pashan, Pune-411008, India.
- 3. Department of Chemistry, Assam University, Silchar-788011, Assam, India.
- 4. Department of Chemistry, Gargaon College, Simaluguri-785686, Sivasagar, Assam, India.
Description
Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes".
The dataset contains:
Table 1: Co-ordinates of optimized structures of LNA; N-MeO-amino-BNA; 2′,4′-BNANC[NH]; 2′,4′-BNANC[NMe] and N-Me-aminooxy-BNA monomer nucleotides without the phosphate backbone each containing nucleobases Adenine (A), Guanine (G), 5-Methylcytosine (C) and Thymine (T) calculated at the M06-2X/6-311G(d,p) level of theory.
Table 2: Co-ordinates of optimized structures of LNA; N-MeO-amino-BNA; 2′,4′-BNANC[NH]; 2′,4′-BNANC[NMe]; N-Me-aminooxy-BNA monomer nucleotides and PS-LNA; PS-N-MeO-amino-BNA; PS-2′,4′-BNANC[NH]; PS-2′,4′-BNANC[NMe]; PS-N-Me-aminooxy-BNA monomer nucleotides (R & S conformers) each containing nucleobases Adenine (A), Guanine (G), 5-Methylcytosine (C) and Thymine (T) calculated at the M06-2X/6-311G(d,p) level of theory.
Table 3: Frcmod files of LNA; N-MeO-amino-BNA; 2′,4′-BNANC[NH]; 2′,4′-BNANC[NMe]; N-Me-aminooxy-BNA monomer nucleotides and PS-LNA; PS-N-MeO-amino-BNA; PS-2′,4′-BNANC[NH]; PS-2′,4′-BNANC[NMe]; PS-N-Me-aminooxy-BNA monomer nucleotides (R & S conformers) each containing nucleobases Adenine (A), Guanine (G), 5-Methylcytosine (C) and Thymine (T) optimised at the M06-2X/6-311G(d,p) level of theory.
Table 4: Library files of LNA; N-MeO-amino-BNA; 2′,4′-BNANC[NH]; 2′,4′-BNANC[NMe]; N-Me-aminooxy-BNA monomer nucleotides and PS-LNA; PS-N-MeO-amino-BNA; PS-2′,4′-BNANC[NH]; PS-2′,4′-BNANC[NMe]; PS-N-Me-aminooxy-BNA monomer nucleotides (R & S conformers) each containing nucleobases Adenine (A), Guanine (G), 5-Methylcytosine (C) and Thymine (T) optimised at the M06-2X/6-311G(d,p) level of theory.
Files
Antisense-BNA-PDBs-Zenodo.zip
Files
(1.4 MB)
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