Published July 27, 2022
| Version v1
Dataset
Open
Do Go Chasing Waterfalls: Enoyl Reductase (FabI) in Complex with Inhibitors Stabilizes the Tetrameric Structure and Opens Water Channels - full trajectories of SaFabI and EcFabI tetramers
Authors/Creators
- 1. UFMG, BR
- 2. Tubingen University, DE
- 3. University of Sao Paulo, BR
Description
The following IDs are related to trajectories:
v1 = EcFabI apo, tetramer
v2 = EcFabI + TCL complex, tetramer
v3 = EcFabI + MUT complex, tetramer
v39 = EcFabI + AFN complex, tetramer
v16 = SaFabI apo, tetramer
v17 = SaFabI + TCL complex, tetramer
v18 = SaFabI + MUT complex, tetramer
v40 = SaFabI + AFN complex, tetramer
Files
v1.zip
Files
(49.0 GB)
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md5:925806c3f4df6bc5b5272db32676c826
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6.1 GB | Preview Download |
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md5:0fc3550725aa807b7293df4d1d0b895a
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6.2 GB | Preview Download |
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md5:114e9b9c5281fa25fd587de318e81dff
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6.2 GB | Preview Download |
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md5:6b988991927b31ca2d61e0bb36c2c6b7
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6.2 GB | Preview Download |
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md5:9ceae37287be1538191fba209774720c
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6.1 GB | Preview Download |
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md5:aadc51a8a2c6706812dedde61baa753b
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6.1 GB | Preview Download |
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md5:dac0aad22392b4ff1209213aa1c9b354
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6.1 GB | Preview Download |
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md5:a5929a5d6ee642de69e1547e38b74ae8
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6.1 GB | Preview Download |
Additional details
Related works
- Is supplement to
- Journal article: 10.1021/acs.jcim.2c01178 (DOI)