Numerical investigations of translocation characteristics of nano-silica lunar dust across pulmonary surfactant monolayer

A Review on Investigating the Interactions between Nanoparticles and the Pulmonary Surfactant Monolayer with Coarse-Grained Molecular Dynamics Method

“…It treats atoms in the system as particles, calculates the force states of molecules and atoms based on their relative positions and the MD force field, relies on Newtonian equations of motion to derive the acceleration of the molecules and atoms, and solves for the motions, position, and force by iterating, thus simulating and calculating the mechanical evolution of molecular or atomic systems . In recent years, with the continuous improvement of computer performance and computational capabilities, as well as the vigorous development of MD simulation technology, the MD simulation method has become capable of observing the molecular reconstruction behaviors of intermolecular interactions at the molecular level and elucidating the mechanism of their interactions, so the computer simulation of the interactions between NPs and the PS monolayer is particularly important. − Since its development, the MD simulation has become a vital tool for studying biological systems and has been widely applied in the biomedical field …”