Published October 13, 2017
| Version v1
Dataset
Open
MD simulation data for Helicobacter pylori TonB-CTD (residues 194-285) (PDB ID: 5LW8; BMRB entry: 34043), Amber ff99SB-ILDN, tip3p, 303K, Gromacs
Description
MD simulation data for Helicobacter pylori TonB-CTD (residues 194-285) (PDB ID: 5LW8; BMRB entry: 34043). Simulated with Amber ff99SB-ILDN force field, tip3p water model at 303K, Gromacs software package.
Simulation reported in "Rotational dynamics of proteins from spin relaxation times and molecular dynamics simulations", Ollila et al. Submitted (2017).
Files
Files
(8.0 GB)
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md5:214fd92973bc6b30ec69acefd1f18415
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md5:b608c1ea0fff794505483893a0fd92dd
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md5:3cade63477fbedbc54f0ac6fab6a6a93
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md5:9a40ff68bdea5d6e4af4742513984392
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1.2 MB | Download |
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md5:bab83e6f7198441e1c93ccd83f973a47
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8.0 GB | Download |
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md5:90db2c8c938a26d35f8a639d3bb493c2
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430.9 kB | Download |