Published July 10, 2017
| Version v1
Dataset
Open
Atomistic Fingerprint of Hyaluronan-CD44 Binding: Clustering Simulations
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 "Clustering" simulations in Ref. [1]. There are two replicas marked with "_1" and "_2".
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
(44.8 GB)
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md5:d4c7493792a5722d68477bc4488ec3d7
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680.5 kB | Download |
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md5:4f3d0595b91e9461c9ab23973b842e30
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52.9 kB | Download |
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md5:0fa78731754e870484097ec697d3b4ce
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705.7 kB | Download |
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md5:4f8503e2f13b4fec6b4a41b471f05711
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6.5 MB | Download |
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md5:3cddab5446ea52358adfe5f7b384bd7e
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4.7 MB | Download |
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md5:081258d88b7acc7daa4d4705cf98d2d0
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8.9 MB | Download |
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md5:095423c7f216520ab259c104397a2985
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6.6 MB | Download |
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md5:d193e59217cea6b17e5592e65f3f66e6
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23.0 GB | Download |
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md5:3a0af772d911c24f2684ddd45303dee4
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4.7 MB | Download |
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md5:081258d88b7acc7daa4d4705cf98d2d0
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8.9 MB | Download |
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md5:f8ff730b10b61bdaebb06875f0e1cf8e
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21.8 GB | Download |
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md5:97734748c4ab52880f8132318b352a58
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5.2 kB | Download |
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md5:fa91871d53572b6979056736d75f0875
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928 Bytes | Download |