Journal article Open Access
Research data on "Reconstitution of microtubule into GTP-responsive nanocapsules"
Uchida, Noriyuki;
Kohata, Ai;
Okuro, Kou;
Cardellini, Annalisa;
Lionello, Chiara;
Zizzi, Eric A.;
Deriu, Marco A.;
Pavan, Giovanni M.;
Tomishige, Michio;
Hikima, Takaaki;
Aida, Takuzo
This repository contains the set of data shown in the paper "Reconstitution of microtubule into GTP-responsive nanocapsules", published on Nature Communications (DOI: 10.1038/s41467-022-33156-5).
All the input data needed to run the simulations and get the results are organized in 3 different folders:
* `00-MDPFiles/`
in this folder there are the mdp files for each step for Gromacs-MD simulations: energy minimization, nvt, npt, production with restraints and production without restraints.
* `01-TubulinSystems/`
the folder contains all the necessary files for the tubulin assembly MD simulations with and without glue (`SystemA_Glue/`, `SystemA_noGlue/`, `SystemB_Glue/`, `SystemB_noGlue/`).
* `02-OnlyGlue/`
the folder contains all the files needed for the the atomistic MD simulations of the glue in water.
| Name | Size | |
|---|---|---|
|
TubulinNCs.zip
md5:80b021a30dcf90c03e5d2bbb422b0425 |
224.6 MB | Download |
| All versions | This version | |
|---|---|---|
| Views | 114 | 114 |
| Downloads | 3 | 3 |
| Data volume | 673.7 MB | 673.7 MB |
| Unique views | 103 | 103 |
| Unique downloads | 3 | 3 |
- Publication date:
- September 12, 2022
- DOI:
-
- Grants:
-
European Commission:
- DYNAPOL - Modeling approaches toward bioinspired dynamic materials (818776)
- Related identifiers:
- Cites
- 10.1038/s41467-022-33156-5 (Journal article)
- Communities:
- License (for files):
- Creative Commons Attribution 4.0 International