Published April 13, 2022
| Version v2
Dataset
Open
Dataset for "Unconventional Cleavage mechanism of XBP1 mRNA by IRE1 RNase"
Authors/Creators
- 1. University of Gothenburg, Sweden
- 2. Univ. de Rennes 1, France
Description
IRE1_XBP1_Docked.zip contains the pdb files of the docked xbp1 toward monomers A and B in the IRE1 dimer.
MD.tar.gz contains the 7 restrained MD simulations followed by 50 ns unrestrained MD run. The extension for the final unrestrained MD (50 ns to 200 ns) has been uploaded as MD_extension.tar.gz
QMMMM_MD.tar.gz contains the trajectory files of the QMMM WT_MetaD simulation.
QMMMMD_High.mp4 is a high quality video file showing the XBP1 cleavage by IRE1 during QMMM_MD simulation.
Files
IRE1_XBP1_Docked.zip
Files
(75.0 GB)
| Name | Size | |
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md5:58e4bae7a4193d144da7dd61c9a33aa6
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491.0 kB | Preview Download |
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md5:db67215a4512b7bdaa5a5516c2bf8d00
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38.4 GB | Download |
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md5:bd657e92da791fba5ad24ff2a66d304a
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12.9 GB | Download |
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md5:96a64d35a2d9c36dd34fb051af36ffa5
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23.7 GB | Download |
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md5:9107908215342e646809a0c0e0a72886
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41.0 MB | Preview Download |
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md5:0ae4a8d1f46b754433feab1878d2bbae
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488 Bytes | Download |