Published August 7, 2024 | Version v1

EN2 simulation with amber99SBws (5 replicas)

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)

Name Size
md5:756e6df656c9a089cf225aa7fcb47250
1.9 kB Download
md5:092d8baf4ae4d96bc21fe5744934e788
24.9 MB Download
md5:bd80f4d1237c812b6eb6bc5c5adaa5eb
24.9 MB Download
md5:61933bc4f6712c6d1803abe9337b1483
24.9 MB Download
md5:65fcd4cdc871c337415b26f1a790f7a8
24.9 MB Download
md5:318990f6a53a4e22dfca1e2763887e13
24.9 MB Download
md5:afceca849be5173781985ff64316164e
24.9 MB Download
md5:b9d0d80716ba76b42b908923fd3f1694
540.1 kB Download
md5:3a899cd175d9c6db2653d546be806e40
9.9 MB Download
md5:b43e8dc9c432feee03ad08021b55c19d
727.8 MB Download
md5:b2ea6e44cae7fad9f1f8799bfc8babab
1.2 MB Download
md5:9697a1247ad2f49e6de968cbd29e4823
24.9 MB Download
md5:dc56c2d1934b0a95556f93da6e9925e4
540.1 kB Download
md5:96a8af8269cdaa1b49ecae97d14fbdd5
9.9 MB Download
md5:e291199295c4583f28e401ae520888d4
726.9 MB Download
md5:50e5b6f6f35108aaba976ea9282f5b24
1.2 MB Download
md5:83dfe4b926095bc2f25c39ca07bb8997
24.9 MB Download
md5:00cc7c07ffae2841a121253c46e97c2d
540.1 kB Download
md5:dc634eebb142be147ccc327023b4d0c5
9.9 MB Download
md5:3a0006dff2665fa8115a73ade364d6f6
726.3 MB Download
md5:eeca2f38d24d2291101868d21b5e3eea
1.2 MB Download
md5:1f967303a7b338c3d802150f62ea143b
24.9 MB Download
md5:16a591f5a27464068bfde6dae68166cf
540.1 kB Download
md5:76406f453dfaf761fb2af927a5ba8950
9.9 MB Download
md5:4adbe1c4d75af91aa6d8b14c1535ff76
726.3 MB Download
md5:e20467896306ec6923fa608c3fc1612d
1.2 MB Download
md5:d207cd5fb3554dd3e125339dcba421a1
24.9 MB Download
md5:90542079480c8cb41ec34b658d4e9802
540.1 kB Download
md5:45ac3b98c5798a119d62f1b77704c9c5
9.9 MB Download
md5:dc89dd812c512f171c4f89f969dcd015
726.7 MB Download
md5:3cb32cb6349fcb8c978e06e6a807d7cd
1.2 MB Download