遇见数据集

MD Trajectory for the [NH2-POA@Tet-1] complex in CH2Cl2

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NIAID Data Ecosystem2026-03-11 收录
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As described in our corresponding paper (DOI: 10.1016/j.chempr.2020.05.011), this MD trajectory shows that the NH2-POA polymer stretches out somewhat when binding to Tet-1 in a nonpolar solvent like dichloromethane. The trajectory is the last 400 ns of an 800-ns production run. For the sake of size constraints, it has been sliced to every fourth frame. It is provided in the Desmond file format (compatible with VMD).

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2020-05-20
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