TREK up/down analysis

This repository contains input files and scripts used to analyze TREK- simulations associated with the manuscript: "Down- to up-state transition is the default pathway in TREK K2P channel activation and does not involve a lipid-occluded pore" by Musinszki et al.

Contents

• data_cover/: scripts and data for PCA sampled-space and overlap analysis.
• data_fec/: scripts and data for dissipated-work estimation in free-energy calculations.
• data_RING/: scripts and data for RING contact analysis.

Usage

Each folder contains a README.dat file with additional information about the corresponding analysis.

Citation

If you use this repository, please cite the associated manuscript.