Abstract
Comparative folding G-protein coupled receptors are hampered by distant homology and limited experimental templates. In order to explore the possibility of ab initio modeling, we proposed an optimization method of GPCR two-dimensional topologies based on the contact map that does not apply to any homologous templates or fragments, using a cost-effective 2D helix topology phase. The approach was evaluated in 12 solved GPCRs, our method has seven advantages over SWISS-MODEL, and the overall RMSD was reduced by about 20%.
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Acknowledgements
This paper is supported by the National Natural Science Foundation of China (61772357, 61502329, 61672371), Jiangsu 333 talent project and top six talent peak project (DZXX-010), Suzhou Foresight Research Project (SYG201704, SNG201610) and the Postgraduate Research & Practice Innovation Program of Jiangsu Province (SJCX17_0680).
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Wu, H., Dai, D., Shen, H., Yang, R., Lu, W., Fu, Q. (2018). Optimizing GPCR Two-Dimensional Topology from Contact Map. In: Huang, DS., Gromiha, M., Han, K., Hussain, A. (eds) Intelligent Computing Methodologies. ICIC 2018. Lecture Notes in Computer Science(), vol 10956. Springer, Cham. https://doi.org/10.1007/978-3-319-95957-3_77
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DOI: https://doi.org/10.1007/978-3-319-95957-3_77
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