Published August 6, 2024 | Version v1

EN2 simulation with amber99SB-ILDN (5 replicas)

Description

MD simulations of EN2 (residues 145-259) with amber99SB-ILDN 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 (4.1 GB)

Name Size
md5:28899fadc8208f9321e4e42117bb076c
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534.2 kB Download
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md5:e4e691fa75c065d7023f8f7189b9bf83
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md5:6aac9974bc5330d7ec90e03a4e10afc4
24.9 MB Download
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534.2 kB Download
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9.9 MB Download
md5:75f2833e49b610a27a6c53e51fb53543
726.0 MB Download
md5:fc8eea9e298841cd281dd5040ff8869a
1.2 MB Download