Data on properties of phosphoramide benzoazole oligonucleotides
收藏NIAID Data Ecosystem2026-05-10 收录
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资源简介：
The data include:
1) temperature series of circular dichroism spectra of the native and modified duplexes (folders: CD and CD_melting);
2) data from singular value decomposition of UV-Vis used for pKa determination of the phosphoramidate N-benzazole moiety (folders: UV-Vis_thiazole and pKa_SVD_analysis);
3) values of thermodynamic parameters (changes in enthalpy, entropy, Gibbs free energy and melting temperature) of DNA/DNA and PABAO/DNA duplexes (folder: thermodynamic parameters);
4) partial atomic charges of the phosphoramidate N-benzazole moiety (folder: patial_charges);
5) structures of DNA/DNA and PABAO/DNA duplexes obtained using k-means cluster analysis of molecular dynamics trajectories (folder: molecular_dynamics_structures).
创建时间：
2025-12-10
