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TonB C-terminal domain simulation with amber99SB-ILDN (5 replicas)

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Zenodo2024-04-10 更新2026-04-07 收录
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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.

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2024-04-10
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