Quantitative electrostatic force tomography for virus capsids in interaction with an approaching nanoscale probe

This repository contains the simulated data of a simple electrostatic model, based on the Poisson-Boltzmann equation, that quantifies the subnanometric electrostatic interactions between an AFM tip and a proteinaceous capsid (Zika Virus) from molecular snapshots. This allows us to describe the contributions of specific amino acids and atoms to the interaction force. The contains of this repository can be easily visualized through Jupyter Notebooks contained here: https://github.com/pyF4all/eTipVirusForce