MemProtMD: A resource for membrane proteins

点击翻译按钮获取中文摘要

Membrane proteins play key roles in cell biology; as ion channels, drug receptors, and transporters of solute. In addition, ~50% of potential new drug targets are membrane proteins. It has been estimated that a quarter of genes code for membrane proteins. However there is a huge deficit in structural information for these proteins, with membrane proteins currently constituting less than 2% of the known 3D structures. Improvements in the experimental methods for capturing the architecture of membrane proteins has recently lead to a conspicuous rise in resolved structures. Nevertheless these structures are predominantly elucidated either with none or only a few membrane lipids or detergent lipid-mimetics bound. Computer simulations allow us to develop models of the interactions of membrane proteins with lipids or detergents. It is timely therefore, on the 25th anniversary of the determination of the first atomic resolution membrane structure, that a mechanism should be implemented to enable the semi-automation of a high throughput simulation pipeline to provide a clear description of the interactions of a membrane protein structure within its native membrane environment.