Development of a new method for structural modeling of protein-membrane complexes

点击翻译按钮获取中文摘要

We developed three new methods for reliable structural modeling of protein-membrane complexes: Voronoi tessellation Monte Carlo integration method, Surface-tension replica-exchange molecular dynamics method, and Method to predict the optimal orientation of membrane proteins with Generalized Born implicit membrane model. These methods are useful to perform reliable molecular dynamics simulations of membrane proteins and mixed lipid bilayer systems like lipid rafts.