Data for Cholesterol binding to the sterol-sensing region of NiemannPick C1 protein confines dynamics of its N-terminal domain

Uploaded zip files contain simulations data, input files, parameters and topologies for the work performed in the article "Cholesterol binding to the sterol-sensing region of Niemann Pick C1 protein confines dynamics of its N-terminal domain".

Data is organized into 2 folders. First 'Input files' contains the starting structure, topologies and input files for the simulations for each studied case (i.e. POPC,POPC-CHOL,POPC-CHOL-bound). The second 'Trajectories' contains the simulation output of these simulations.

Additionally, zip file contains Readme_for_softwares and Readme_Input_files_and_Trajectories describes the tools used and all the input files respecively.