Interactions between small molecules and lipid bilayers

The cell membrane forms a selectively permeable barrier that enables cells to maintain a distinct chemical environment from their surroundings, making cell membranes one of the key components required for life. In this chapter we review the interactions between small molecules and lipid bilayers from a computational perspective, focusing on the permeation of small molecules and how small molecules affect the properties of lipid bilayers. We organize the molecules based on broad chemical characteristics such as hydrophobicity, polarity, and charge. We also discuss three specific classes of interest: anesthetics, sugars, and carbon nanoparticles.