Coarse-grain modelling of protein–protein interactions

Citation (APA 7)

Baaden, M., & Marrink, S. J. (2013). Coarse-grain modelling of protein–protein interactions. Current opinion in structural biology, 23(6), 878-886.

Abstract

Here, we review recent advances towards the modelling of protein–protein interactions (PPI) at the coarse-grained (CG) level, a technique that is now widely used to understand protein affinity, aggregation and self-assembly behaviour. PPI models of soluble proteins and membrane proteins are separately described, but we note the parallel development that is present in both research fields with three important themes: firstly, combining CG modelling with knowledge-based approaches to predict and refine protein–protein complexes; secondly, using physics-based CG models for de novo prediction of protein–protein complexes; and thirdly modelling of large scale protein aggregates.