Structural bioinformatics and molecular simulations: Looking at membrane proteins

Abstract

Membrane proteins account for approximately 25% of all genes, and constitute approximately 50% of potential drug targets. The steady increase in the number of three-dimensional structures for membrane proteins means that the twin disciplines of structural bioinformatics and biomolecular simulations may be applied to this important class of molecules. Bioinformatics studies are starting to reveal, for example, sequence motifs that govern how transmembrane -helices pack together. Simulations are revealing the dynamic behaviour of membrane proteins and the nature of their often transient interactions with the surrounding lipid molecules.