Coarse-grain modelling of protein-protein interactions

被引：114

作者：

Baaden, Marc ^{[1
]}

Marrink, Siewert J. ^{[2
,3
]}

机构：

[1] Univ Paris Diderot, Lab Biochim Theor, CNRS, UPR9080,Sorbonne Paris Cite, F-75005 Paris, France

[2] Univ Groningen, Groningen Biomol Sci & Biotechnol Inst, NL-9747 Ag Groningen, Netherlands

[3] Univ Groningen, Zernike Inst Adv Mat, NL-9747 Ag Groningen, Netherlands

来源：

CURRENT OPINION IN STRUCTURAL BIOLOGY | 2013年 / 23卷 / 06期

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; SELF-ASSOCIATION; TRANSMEMBRANE HELICES; COMPUTER-SIMULATION; MEMBRANE-PROTEINS; BINDING-AFFINITY; ORGANIZATION; DIMERIZATION; CHOLESTEROL; RECOGNITION;

D O I：

10.1016/j.sbi.2013.09.004

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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 nova prediction of protein-protein complexes; and thirdly modelling of large scale protein aggregates.

引用

收藏

页码：878 / 886

页数：9

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