Non–equilibrium Molecular Dynamics Study of Lipid Bilayers for the Development of Biomedical Engineering Techniques

Abstract

Biomedical engineering is an integration of engineering and medicine to understand and treat biological, medical, and healthcare problems. The biomedical engineering techniques inherently involve various non–equilibrium phenomena in biological systems, and it is essential to understand the phenomenon for the safe, reliable, and effective use of them. Non–equilibrium molecular dynamics simulation is a potential tool to understand non–equilibrium phenomena at the molecular scale. In this review, we introduce the basis of molecular dynamics simulations of the lipid bilayer and the potential applications to the development of ultrasound and liposomal drug delivery systems based mainly on our previous studies.