title: Coarse-grain modelling of protein-protein interactions.
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.
authors.affiliation: Laboratoire de Biochimie Théorique, CNRS, UPR9080, Univ Paris Diderot Sorbonne Paris Cité, 13 rue Pierre et Marie Curie, Paris 75005, France. Electronic address: baaden@smplinux.de.
authors.forename: Marc
authors.initials: M
authors.lastname: Baaden
authors.forename: Siewert J
authors.initials: SJ
authors.lastname: Marrink
mesh_terms: D008565:Membrane Proteins / Q000737:chemistry / Q000378:metabolism; D008958:Models, Molecular; D025941:Protein Interaction Mapping / Q000379:methods*; D012995:Solubility
chemical_list: D008565:Membrane Proteins