ABSTRACT
Knowledge of the molecular mechanisms involving biological membranes and associated molecules is of paramount importance for our general understanding of biochemical processes going on in living systems. Computer molecular simulations can provide a very detailed insight into the molecular behavior, and they have now become an established tool in studies of structural and dynamical properties of biomembranes. The crucial issue of molecular simulations is the reliability of the force field, and specifically in biomembranes simulations, many efforts have been devoted to parametrization and optimization of the force fields. In this chapter, we give an account on the recent developments in this area, describing several classes of force fields, principles of their parametrization, comparison, and experimental validation.
