The main aim of this chapter is the detailed analysis of the Mesodyn module
and how it is beneficial in the pharmaceuticals or drug delivery systems. These models
are the generalization of a coarse-grained model in mesoscopic dynamics which is used
for the field-based simulations of complex systems. A set of functional Langevin
equations characterize the system’s behavior. These computer-based simulation tools
have been proven effective for providing information at molecular and mesoscopic
scales and also for overcoming the limitations of wet lab experiments. So, this chapter
will discuss the potential use of Mesodyn simulations in pre-formulations and various
other applications for the rational designing of drug delivery systems after providing a
brief theoretical background.
Keywords: Coarse-grained model, Drug delivery, Formulation, Investigations, Material studio, Molecular dynamics, Mesodyn, Pharmaceutics, Simulations.