Computational Approaches for Modeling GPCR Dimerization

Title:Computational Approaches for Modeling GPCR Dimerization

Volume: 15 Issue: 10

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

Affiliation:

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

Abstract: 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.

Cite this article as:

Meng Xuan-Yu, Mezei Mihaly and Cui Meng, Computational Approaches for Modeling GPCR Dimerization, Current Pharmaceutical Biotechnology 2014; 15 (10) . https://dx.doi.org/10.2174/1389201015666141013102515