Research data on "Reconstitution of microtubule into GTP-responsive nanocapsules"

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.

Related Organizations

University of Tokyo
Japan
University of Hong Kong
China (People's Republic of)
Polytechnic University of Turin
Italy
University of Applied Sciences and Arts of Southern Switzerland
Switzerland
Aoyama Gakuin University
Japan

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