Published April 10, 2024
| Version v1
Dataset
Open
TonB C-terminal domain simulation with amber99SB-ILDN (5 replicas)
Authors/Creators
Description
MD simulations of the folded C-terminal domain of TonB (residues 195-285) with amber99SB-ILDN 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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556.6 MB | Download |
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556.6 MB | Download |
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1.3 MB | Download |
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556.6 MB | Download |
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2.5 MB | Download |
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2.5 MB | Download |
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md5:87a976869428699a227e14974cfc404a
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2.5 MB | Download |