Published August 7, 2024
| Version v1
Dataset
Open
EN2 simulation with amber99SBws (5 replicas)
Authors/Creators
Description
MD simulations of EN2 (residues 145-259) with amber99SBws force field. Five replicas from different starting structures were taken from 5 different timepoints (10 ps, 250 ns, 500 ns, 750 ns, 1000 ns) of a previously published MD trajectory starting from a fully extended linker (Kiirikki, M. Anne; Ollila, O. H. Samuli. (2020). EN2(143-259) simulation with Amber ff03ws [Data set]. Zenodo. https://doi.org/10.5281/zenodo.3778216). Simulations were run wtih 40 mM NaCl at 303 K. The trajectory has a saving frequency of 10 ps.
Files
Files
(3.9 GB)
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24.9 MB | Download |
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540.1 kB | Download |
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9.9 MB | Download |
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md5:e291199295c4583f28e401ae520888d4
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726.9 MB | Download |
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1.2 MB | Download |
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md5:83dfe4b926095bc2f25c39ca07bb8997
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9.9 MB | Download |
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726.3 MB | Download |
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1.2 MB | Download |
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md5:1f967303a7b338c3d802150f62ea143b
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9.9 MB | Download |
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726.3 MB | Download |
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1.2 MB | Download |
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md5:d207cd5fb3554dd3e125339dcba421a1
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24.9 MB | Download |
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540.1 kB | Download |
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9.9 MB | Download |
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md5:dc89dd812c512f171c4f89f969dcd015
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726.7 MB | Download |
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md5:3cb32cb6349fcb8c978e06e6a807d7cd
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1.2 MB | Download |