A molecular dynamics approach to study the permeation of nanoparticles through lipid bilayer

Scripts useful for running NAMD simulations

Perform molecular dynamics experiments (MD) with NAMD on colab

This is a brownian dynamics code simulating a spin ice system.

Análisis de resultados de simulación LAAMPS de dinamica molecular.

Bayesian nonparametric inference of ligand binding kinetics from molecular dynamics simulations.