The growing number of studies on G protein-coupled receptors (GPCRs) family are a\nsource of noticeable improvement in our understanding of the functioning of these proteins. GPCRs\nare responsible for a vast part of signaling in vertebrates and, as such, invariably remain in the\nspotlight of medicinal chemistry. A deeper insight into the underlying mechanisms of interesting\nphenomena observed in GPCRs, such as biased signaling or allosteric modulation, can be gained\nwith experimental and computational studies. The latter play an important role in this process, since\nthey allow for observations on scales inaccessible for most other methods. One of the key steps in\nsuch studies is proper computational reconstruction of actual ligand-receptor or protein-protein\ninteractions, a process called molecular docking. A number of improvements and innovative\napplications of this method were documented recently. In this review, we focus particularly on\ninnovations in docking to GPCRs.
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