Biological membrane is an essential component of all living cells.
Drug agents may have harmful side effect on the bio-membrane
and affect its functions related on. Its interactions with biomembrane
received increasing interests in recent years. Lipid bilayer
is usually treated as a simplified structure of bio-membrane. Due
to the flexible nature of lipid molecules and the complex hydrophilic
and hydrophobic interactions, computer simulation has emerged
as a critical tool for modeling the lipid bilayer. This project adopts
molecular dynamics simulation method to investigate structural
properties of lipid bilayer that are temperature and pressure
dependent, the interaction between lipid molecules and water, ion
binding effects on the lipid bilayer, and the interactions between a
few drug agents and lipid bilayers. A consistent force field has been
setup for the targeted molecules.