Published July 10, 2017
| Version v1
Dataset
Open
Atomistic Fingerprint of Hyaluronan-CD44 Binding: Seeding Simulations
- 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 "Seeding" simulations in Ref. [1].
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
(36.8 GB)
| Name | Size | Download all |
|---|---|---|
|
md5:1f7c06c135b873d1d61e4d8415f6daf2
|
777 Bytes | Download |
|
md5:70b91e4085df6fec37e6f6a4c64e3727
|
777 Bytes | Download |
|
md5:60acb4010679c3b5e2cddb23dbe2f4f5
|
777 Bytes | Download |
|
md5:f24401956fda94b6148ee84987327ed6
|
777 Bytes | Download |
|
md5:d81bf822401b06a3d57b44af8bbd03c3
|
680.4 kB | Download |
|
md5:51a3b2a4859ca88108222a8a1e4c02b9
|
46.0 kB | Download |
|
md5:2e7096f4710d434b8b32bac9d421d6d5
|
172.5 kB | Download |
|
md5:c127508ac6215edf8f4186241980ef57
|
2.2 MB | Download |
|
md5:ab3d493e8026f33e038d83447b6fab8f
|
3.0 MB | Download |
|
md5:64c1e7204b96d1b5aab44005cb0e02ae
|
3.0 MB | Download |
|
md5:edf0680a609dc4a71a1d7ae766f5203e
|
3.0 MB | Download |
|
md5:a82889e271f578d91aa367b1945850f6
|
1.8 MB | Download |
|
md5:a87d3397e7c103fbca96863862cdd1e2
|
3.3 MB | Download |
|
md5:565193a9816e2e3b8f8a50bf4492b024
|
2.5 MB | Download |
|
md5:ce47b1dacb8dd1f49fe61234603adcdc
|
5.4 GB | Download |
|
md5:8ec5bf2b8910fd038c024d6917d85619
|
2.4 MB | Download |
|
md5:8de346332e7aa157279741e9ba717527
|
4.5 MB | Download |
|
md5:f73d7b5125969e95f81aed20905c0111
|
3.1 MB | Download |
|
md5:63d741de9ee6a57aa740bfd13ccfe98c
|
16.8 GB | Download |
|
md5:44e3c26648b3701d79fdcd090b492b58
|
2.4 MB | Download |
|
md5:29c95d59cc8b9aff525cb8657180e8a2
|
4.5 MB | Download |
|
md5:c0630c2df0a7f83b5edc7b6eae0e9128
|
3.1 MB | Download |
|
md5:96c142cbffc659deb4e1b1feb372c227
|
7.3 GB | Download |
|
md5:65450a2b58783b8c86ecb5bcff775837
|
2.4 MB | Download |
|
md5:ad43f0fcd4d55144bd39259ae7fb6767
|
4.5 MB | Download |
|
md5:6ff8b9fdf8d2cbd0b9f730c100945f03
|
3.1 MB | Download |
|
md5:caf090d158ace70f3de880c33e6c8484
|
7.3 GB | Download |
|
md5:9aadafaa7baece77988a1a77f7344ab6
|
10.4 kB | Download |
|
md5:9aadafaa7baece77988a1a77f7344ab6
|
10.4 kB | Download |
|
md5:9aadafaa7baece77988a1a77f7344ab6
|
10.4 kB | Download |
|
md5:9aadafaa7baece77988a1a77f7344ab6
|
10.4 kB | Download |