Abstract
The function of G-protein-coupled receptor (GPCR) in organisms are directly related to its tertiary structure. Protein free energy can well reflect the state stability of protein tertiary structure. Therefore, the research on the free energy of GPCR is of great significance. At present, there is a lack of goldenfree energy constraint GPCR structure in helix domain level in the current researches, which affects GPCR’s three-dimensional structure stability. In this paper, a knowledge-based free energy term with the residue distance and angle of the helix of the GPCR as a constraint is established. The energy term is based on the gaussian distribution model, which accurately expresses the free energy of the GPCR. Compared with other energy functions, the experimental data and the result of this model is more accurate.
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Acknowledgement
This paper is supported by the National Natural Science Foundation of China (61772357, 61502329, 61672371, and 61876217), Jiangsu Province 333 Talent Project, Top Talent Project (DZXX-010), Suzhou Foresight Research Project (SYG201704, SNG201610, and SZS201609)
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Ling, H., Wu, H., Han, J., Ding, J., Lu, W., Fu, Q. (2019). Knowledge Based Helix Angle and Residue Distance Restraint Free Energy Terms of GPCRs. In: Huang, DS., Jo, KH., Huang, ZK. (eds) Intelligent Computing Theories and Application. ICIC 2019. Lecture Notes in Computer Science(), vol 11644. Springer, Cham. https://doi.org/10.1007/978-3-030-26969-2_16
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DOI: https://doi.org/10.1007/978-3-030-26969-2_16
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