遇见数据集

Seconday structure determines electron transport in peptides

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Zenodo2024-07-07 更新2026-05-26 收录
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Contents include molecular dynamics trajectory and topology files used in this study. trajs.zip Solvent-stripped trajectories are provided in zip format. Directories are organized by amino acid composition and holding stage. for example, `trajs/gly/MGGM/hold6-orient-efield/strip_0.dcd` is the path for the first replicate of peptide MGGM at inter-anchor holding stage of 6 Angstrom topology files are included one directory above trajectory files, e.g. `trajs/gly/MGGM/strip.psf` is the topology file for peptide MGGM (at any holding stage)

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Zenodo
创建时间:
2023-04-18
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