Chapter 14 - Applications of molecular dynamics simulation in nanomedicine

Abstract

Molecular dynamics simulation is an important tool for studying nanomedicines at the atomic scale. Because measuring parameters at the atomic scale is very costly, the use of molecular dynamics simulations can speed up research and reduce costs. Although molecular dynamics simulations are very old, with the development of hardware as well as software and the development of force fields based on experimental data, the use of these simulations has become very useful and common today. In the simulation of molecular dynamics, various mathematical models such as Monte Carlo simulation and molecular bond density theory are used. The definition of nanomedicine includes the design, synthesis, formulation, and delivery of nanoscale drugs. This chapter examines the application of molecular dynamics simulation in the synthesis of nanomedicine, drug delivery, the interaction of nanomedicine in biological environments, and biotechnology.