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In silico study on a binding mechanism of ssDNA aptamers targeting glycosidic bond-containing small molecules

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NIAID Data Ecosystem2026-05-01 收录
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Files with the 5 ssDNA and their complexes with glycosidic bond-containing small molecules after docking, used in the MD simulations, along with MD simulation trajectories, are included as compressed files (.zip). Glycosidic bond-containing small molecules docking performed using AutoDock Vina, and MD simulations based on amber software and DNA.bsc1 force fields.

创建时间:
2023-10-23
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