Wang, JinanMiao, Yinglong2020-03-262020-03-262019-01-03Wang, J., & Miao, Y. (2019). Recent advances in computational studies of GPCR-G protein interactions. Advances in protein chemistry and structural biology, 116, 397–419. https://doi.org/10.1016/bs.apcsb.2018.11.011https://hdl.handle.net/1808/30193This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.Protein-protein interactions are key in cellular signaling. G protein-coupled receptors (GPCRs), the largest superfamily of human membrane proteins, are able to transduce extracellular signals (e.g., hormones and neurotransmitters) to intracellular proteins, in particular the G proteins. Since GPCRs serve as primary targets of ~ 1/3 of currently marketed drugs, it is important to understand mechanisms of GPCR signaling in order to design selective and potent drug molecules. This chapter focuses on recent advances in computational studies of the GPCR-G protein interactions using bioinformatics, protein-protein docking and molecular dynamics simulation approaches.Copyright © 2019 Elsevier Inc. All rights reserved.http://creativecommons.org/licenses/by-nc-nd/4.0/Protein-protein interactionsGPCR-G protein interactionsBioinformaticsProtein-protein dockingMolecular dynamicsArticle10.1016/bs.apcsb.2018.11.011PMC6986689openAccess