Atomistic and Coarse-Grained Simulations of Membrane Proteins: A Practical Guide

This article explains the molecular dynamics theoretical framework and popular step-by-step approaches for simulating membrane proteins in planar, and to a lesser extent, nonplanar lipid geometries. We detail popular procedures and computational tools that produce well-packed configurations of lipids and proteins and additionally, the efficient molecular dynamics simulation algorithms that reproduce their dynamic interactions.
Source: Methods - Category: Molecular Biology Source Type: research