Published May 24, 2024
| Version v1
Dataset
Open
TonB C-terminal domain simulation with DESamber (5 replicas)
Authors/Creators
Description
MD simulations of the folded C-terminal domain of TonB (residues 195-285) with DESamber force field. Five replicas from different starting structures from taken from RCSB PDB: 5LW8 (model 1, 5, 10, 15 and 20). Simulations were run wtih 40 mM NaCl at 303 K. The trajectory has a saving frequency of 10 ps.
Files
Files
(2.8 GB)
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1.3 MB | Download |
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md5:9a1b5e71416120f396c2b188dc044ab9
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556.5 MB | Download |
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2.5 MB | Download |
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505.4 kB | Download |
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556.3 MB | Download |
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1.3 MB | Download |
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2.5 MB | Download |
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2.5 MB | Download |
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2.5 MB | Download |
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2.5 MB | Download |
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md5:9d111bdfc86e808d549861fbda4f589c
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2.5 MB | Download |