Computational Approaches for Modeling GPCR Dimerization

Author(s): Xuan-Yu Meng, Mihaly Mezei, Meng Cui

Journal Name: Current Pharmaceutical Biotechnology

Volume 15 , Issue 10 , 2014

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Growing experimental evidences suggest that dimerization and oligomerization are important for G Protein- Coupled Receptors (GPCRs) function. The detailed structural information of dimeric/oligomeric GPCRs would be very important to understand their function. Although it is encouraging that recently several experimental GPCR structures in oligomeric forms have appeared, experimental determination of GPCR structures in oligomeric forms is still a big challenge, especially in mimicking the membrane environment. Therefore, development of computational approaches to predict dimerization of GPCRs will be highly valuable. In this review, we summarize computational approaches that have been developed and used for modeling of GPCR dimerization. In addition, we introduce a novel two-dimensional Brownian Dynamics based protein docking approach, which we have recently adapted, for GPCR dimer prediction.

Keywords: Brownian dynamics simulations, coarse grained MD simulations, computer modeling, molecular dynamics simulations, membrane protein dimerization, protein docking.

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Article Details

Year: 2014
Page: [996 - 1006]
Pages: 11
DOI: 10.2174/1389201015666141013102515
Price: $65

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