Computational Biology Laboratory, Danish Cancer Society Research Center, Strandboulevarden 49, 2100, Copenhagen, Denmark
Repository associated to the publication:
Conformational gating in ammonia lyases, Matteo Lambrughi, Zeljka Sanader Maršić, Veronica Saez-Jimenez, Valeria Mapelli, Lisbeth Olsson, Elena Papaleo Biochim Biophys Acta Gen Subj. 2020, doi: 10.1016/j.bbagen.2020.129605
corresponding author: Elena Papaleo, elenap@cancer.dk
The repository contains the input data for modeling and simulations, outputs from analyses and associated scripts to reproduce our data. The MD trajectories have been deposited in OSF due to space limitation. They can be downloaded from here: https://osf.io/c5mhj/
A more detailed README file is in the subfolder simulations
Please cite our publication if you use the material in this repository.