Coarse-grain Protein Models
Coarse-graining is a powerful approach for modeling biomolecules that, over the last few decades, has been extensively applied to proteins. Coarse-grain models offer access to large systems and to slow processes without becoming computationally unmanageable. In addition, they are very versatile, enabling both the protein representation and the energy function to be adapted to the biological problem in hand. This review concentrates on modeling soluble proteins and their assemblies. It presents an overview of the coarse-grain representations, of the associated interaction potentials, and of the optimization procedures used to define them. It then shows how coarse-grain models have been used to understand processes involving proteins, from their initial folding to their functional properties, their binary interactions, and the assembly of large complexes.