Computational Biology Laboratory, Danish Cancer Society Research Center, Strandboulevarden 49, 2100, Copenhagen, Denmark
Repository associated to the publication:
Selective autophagy maintains centrosome integrity and accurate mitosis by turnover of centriolar satellites Søs Grønbæk Mathiassen et al. Nat Commun. 2019 Sep 13;10(1):4176. doi: 10.1038/s41467-019-12094-9.
contact person for the repository: Elena Papaleo, elenap-at-cancer.dk
This repository contains the input data for the modelling and simulations, the outputs from analyses and the associated scripts to reproduce our data.
The three main folders in the repository contains:
- modeller -> the files and scripts to generate the models of the complexes and to perform the structural clustering
- simulations -> templates files for gromacs to run preparation and md along with bash scripts for the preparation steps
- conan -> the files and scripts of the contact analyses of the MD simulations, along with the xtc files with teh structures of the ensemble of PCM1-GABARAP complex