Published September 19, 2022
| Version v1
Dataset
Open
Dataset wih MD simulations of fish aquaporin - wt and different mutants.
Authors/Creators
- 1. National University of Singapore
- 2. University of Gothenburg
- 3. Chalmers University of Technology
- 4. Lund University
Description
MD trajectories and final minimized structures after 100 ns MD simulation for wt, pT38, pY107, L117A, Y107A and Y107E variants of fish aquaporin.
All simulations performed using the YASARA software (www.yasara.org).
Notes
Note that due to an error in initial sequence labelling, simulation files for T38 are in the pT38 folder referred to as T39, L117 simulation files are referred to as L118 (L117A folder), and Y107 files are referred to as Y108 (pY107 and Y107A folders).
Files
l117a.zip
Files
(4.8 GB)
| Name | Size | |
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md5:d7a69b43956ee17b82a1638552ff815f
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1.0 GB | Preview Download |
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md5:a18852eed40b457461cf48504d9dcafd
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952.4 MB | Preview Download |
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md5:6161bb1ec809e32db1be0203e451662d
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945.4 MB | Preview Download |
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md5:b31af5f96f2781f9623dee164daa20cf
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1.1 GB | Preview Download |
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md5:249520624f79158fd648692654939304
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809.8 MB | Preview Download |