Department of Medicinal Chemistry, Maj Institute of Pharmacology Polish Academy of Sciences, Krakow, Poland.
Małopolska Centre of Biotechnology, Jagiellonian University, Kraków, Poland.
Methods Mol Biol. 2023;2627:167-181. doi: 10.1007/978-1-0716-2974-1_9.
G protein-coupled receptors (GPCRs) are therapeutically important family of membrane proteins. Despite growing number of experimental structures available for GPCRs, homology modeling remains a relevant method for studying these receptors and for discovering new ligands for them. Here we describe the state-of-the-art methods for modeling GPCRs, starting from template selection, through fine-tuning sequence alignment to model refinement.
G 蛋白偶联受体(GPCRs)是一类具有重要治疗意义的膜蛋白家族。尽管目前已有越来越多的 GPCR 实验结构可供使用,但同源建模仍然是研究这些受体和发现它们的新配体的相关方法。在这里,我们将描述从模板选择开始,到精细调整序列比对,再到模型精修的 GPCR 建模的最新方法。