Published July 10, 2017
| Version v1
Dataset
Open
Atomistic Fingerprint of Hyaluronan-CD44 Binding: Unbound Simulations, Set 1
Authors/Creators
- 1. Tampere University of Technology, Tampere, Finland
- 2. University of Helsinki, Helsinki, Finland
- 3. Institute of Organic Chemistry and Biochemistry, The Czech Academy of Sciences, Prague, Czech Republic
Description
Simulation files (Gromacs 4.6.7 format) for the "Unbound" simulations in Ref. [1]. There are three replicas marked with "_1" , "_2", and "_3".
Files include:
-trajectories (.xtc) that are saved every 100ps
-initial structures (.gro),
-run input files (.tpr)
-checkpoint files (.cpt)
-simulation parameter files (.mdp)
-system topology file (.top)
-topology files included in the system topology file (.itp)
[1] Vuorio J. et al., Atomistic Fingerprint of Hyaluronan-CD44 Binding, PLOS Comp. Biol., 2017. (Submitted)
Files
Files
(33.9 GB)
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md5:d81bf822401b06a3d57b44af8bbd03c3
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680.4 kB | Download |
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md5:4f3d0595b91e9461c9ab23973b842e30
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52.9 kB | Download |
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md5:c83e59ad59f91afcb5e6c18bf91656b1
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198.9 kB | Download |
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md5:1db1f8c989635ebfacbe96ffb032071c
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4.1 MB | Download |
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md5:d8f550abbf8901256c254086d577c1a4
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3.2 MB | Download |
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md5:b8d1b67dfa3c87dab7af3e712f95af5e
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9.7 GB | Download |
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md5:2ef665f56573838422fd4d5c4762c93a
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3.2 MB | Download |
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md5:e6c034f35235189344741fae8ec93486
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9.7 GB | Download |
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md5:be9248305bd68b1dfca7275c530b1efd
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3.2 MB | Download |
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md5:c67567b02f7aa43428f0d593050840bf
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14.5 GB | Download |
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md5:e2494db8d14dd21e46f8a28bda024d81
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5.2 kB | Download |
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md5:efc503778653df6a82dd95b7ad4f4b62
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5.9 MB | Download |
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md5:08835a0fc032536924b9a93db9cc86d1
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805 Bytes | Download |