The chemical nature of the interaction of natural ligands with G-quadruplexes
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https://zenodo.org/record/14288852
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资源简介：
We provide here computational data corresponding to the manuscript "The chemical nature of the interaction of natural ligands with G-quadruplexes":
1_tleap: Topology and initial coordinate files for Amber created with Leap.
2_MD: PDF files of the MD simulation trajectories with the RMSD evolution of DNA and ligands.
3_QMMM: Summary of the excited states of ThT bound to G-quadruplex and in solution.
4_MSM: Trajectory files and topology files of the Markov State Model.
创建时间：
2024-12-06
