Polyelectrolyte in a water cavity
收藏Zenodo2021-06-28 更新2026-04-07 收录
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https://zenodo.org/record/5017651
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The compressed file provide 400 snapshots of a molecular dynamics simulation performed at ambient condition using the POLARIS(MD) code (http://biodev.cea.fr/polaris/) and polarizable force fields of a polyelectrolyte in compact quasi spherical conformation as embedded in a spherical cavity comprising about 7 500 water molecules.
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CEA创建时间：
2021-06-28
