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 <strong>"Cholesterol binding to the sterol-sensing region of Niemann Pick C1 protein confines dynamics of its N-terminal domain</strong>". 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 <strong>Readme_for_softwares</strong> and <strong>Readme_Input_files_and_Trajectories </strong>describes the tools used and all the input files respecively.