Alejandro Poveda's repositories
paper-2022_NS1_oligomerization
This repository has several codes to calculate the potential of mean force (pmf) based on radial distribution function (rdf) of protein-protein interactions. The input are rdf files generated with a modified version of Faunus packages (https://github.com/mlund/faunus). Codes were employed to calculate pmf curves in the publication: https://doi.org/10.1016/j.virusres.2022.198838. Here is showing an example simplified!
paper-2023_NS1-membrane_interaction
Scripts for analysis of MD simulations for two NS1 of Zika virus interacting with a membrane.