Data and Scripts for: Quantum Hydration–Coordination Microstate Classification in the Nav1.7 Pore: A Framework for Future Refinement
Mahapatra, Chitaranjan;
Data and Scripts for: Quantum Hydration–Coordination Microstate Classification in the Nav1.7 Pore: A Framework for Future Refinement
This repository contains molecular dynamics input files, processed datasets, representative structures, sodium hydration-state assignments, and analysis scripts used to generate the figures and tables reported in the associated manuscript. Keywords: Nav1.7, sodium channel, molecular dynamics, hydration, quantum computing, ion channel