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Coarse-grain modelling of protein-protein interactions

Authors :
Siewert J. Marrink
Marc Baaden
Laboratoire de biochimie théorique [Paris] (LBT (UPR_9080))
Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS)-Institut de biologie physico-chimique (IBPC (FR_550))
Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)
Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials
University of Groningen [Groningen]
Molecular Dynamics
Université Paris Diderot - Paris 7 (UPD7)-Institut de biologie physico-chimique (IBPC)
Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)
Source :
Current Opinion in Structural Biology, Current Opinion in Structural Biology, Elsevier, 2013, pp.878-86, Current Opinion in Structural Biology, 23(6), 878-886
Publication Year :
2013
Publisher :
HAL CCSD, 2013.

Abstract

International audience; 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.

Details

Language :
English
ISSN :
0959440X
Database :
OpenAIRE
Journal :
Current Opinion in Structural Biology, Current Opinion in Structural Biology, Elsevier, 2013, pp.878-86, Current Opinion in Structural Biology, 23(6), 878-886
Accession number :
edsair.doi.dedup.....8c1c9ff2516de02b646e6363b2c2f4f3