Published May 16, 2022
| Version 1
Dataset
Open
Quantitative electrostatic force tomography for virus capsids in interaction with an approaching nanoscale probe
Authors/Creators
- 1. Department of Theoretical Physics, Jozef Stefan Institute
- 2. Department of Mechanical Engineering, Universidad Tecnica Federico Santa Maria
Description
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
Notes
H.V.G thanks the financial support by the Slovenian Research Agency (Funding No. P1-0055). C.D.C. acknowledges the support from Universidad Técnica Federico Santa María (project PI-LIR-2020-10), and from CCTVal through ANID PIA/APOYO AFB180002.