Published August 7, 2024 | Version v1

EN2 simulation with amberff03ws (5 replicas)

Description

MD simulations of EN2 (residues 145-259) with amberff03ws 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 (4.0 GB)

Name Size
md5:b576252d83c978b6eb1ae9ad26339d49
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24.9 MB Download
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md5:d64e8eed79e3407c6eff8ca32818a442
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md5:0531abd3151d353e773a996ade9cc283
529.9 kB Download
md5:010053b23c97a1ba18b014ef0cc13f06
37.0 MB Download
md5:3e1ce0adfd7ac5607770fc54ebc43510
588.5 MB Download
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3.3 MB Download
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529.9 kB Download
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9.9 MB Download
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1.2 MB Download
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24.9 MB Download
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529.9 kB Download
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9.9 MB Download
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1.2 MB Download
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24.9 MB Download
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529.9 kB Download
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9.9 MB Download
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726.9 MB Download
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1.2 MB Download
md5:c74d124d7e783c847228de431d726b85
24.9 MB Download
md5:c1973d4c7c961609053659624cc7b8c6
529.9 kB Download
md5:4bdc39cbdfe057dd7ebe1eac3439c7fc
9.9 MB Download
md5:5829b2b4b448bff2a21fb7ec516508f8
727.1 MB Download
md5:6cff00ddb05906cd59053f8a5ad44687
1.2 MB Download