Interfacing molecular dynamics with continuum dynamics in computer simulation: Toward an Application To biological membranes

摘要

A clear challenge in the field of computer simulation of biological systems is to develop a simulation methodology that incorporates the vast temporal and spatial scales observed in living systems. At present, simulation capabilities generally operate in either microscopic or macroscopic regimes. Microscopic molecular dynamics simulations Can examine systems up to the order of 100 000 atoms on time scales of the order of nanoseconds.