Evaluating the ligands potency to affect the fast inactivation of voltage-gated sodium channel

This repository contains files presented in the manuscript "Evaluating the ligands potency to affect the fast inactivation of voltage-gated sodium channel":

• docking of all investigated ligands (to both open-state and inactivated-state models of the Periplaneta americana PaNav1 channel)
• data extracted from SMD simulations, together with the script for data visualization

The method presented in the manuscript is available at: https://github.com/kszewc/multiSMD_inactivation