Published June 29, 2020
| Version v1
Dataset
Open
Dataset for molecular simulations of human IRE1 tetramer models.
- 1. University of Gothenburg, Sweden
Description
Dataset from SymmDock protein-protein docking of different conformers of IRE1 tetramers (dimer of back-to-back dimers); input files scripts and trajectories from subsequent MD simulations using Gromacs. Videos showing PC1 and PC2 of tetramers yIRE14 (S1, S2), hIRE14(R) (S3, S4), hIRE14(L) (S5,S6) and hIRE14(S) (S7,S8), in avi format.
Notes
Funding sources: MSCA-ITN 675448 (Trainers); MSCA-RISE 734749 (Inspired); Swedish research council (grant 2019-3684); Hasselblad Foundation; Swedish foundation for strategic research (grant ITM17-0431), and Elisabeth and Alfred Ahlqvist Stiftung. The Swedish national infrastructure for computing is gratefully acknowledged for generous allocations of computing time at Swedish supercomputing centers C3SE and PDC.
Files
1_benchmark_dimer_using_SymmDock.zip
Files
(24.6 GB)
| Name | Size | Download all |
|---|---|---|
|
md5:b4fe7f80a1f1174fb411e87db33c8518
|
23.6 MB | Preview Download |
|
md5:993629645e4bf8bae8929491809a26a0
|
54.3 MB | Preview Download |
|
md5:94859340bd5719ef655b84e9ab9b9092
|
6.0 GB | Preview Download |
|
md5:9740ff2d99d11f21bb9e6fb380f8d59e
|
6.0 GB | Preview Download |
|
md5:2cbb62617175cb26b81503e2913b3299
|
6.0 GB | Preview Download |
|
md5:e1605e0fa22f2545f18bddc3a55886c9
|
80.2 MB | Preview Download |
|
md5:5c8e66676ef2ea17c70cdc1c6e85c7f7
|
2.3 kB | Preview Download |
|
md5:390e2d6bfc8715e858f88499e37606dd
|
133.2 MB | Preview Download |
|
md5:d764474bd3ccc209ff5daa588ad7dd4b
|
6.3 GB | Preview Download |