Structure-based drug screening for G-protein-coupled receptors.

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Molecular Docking and Structure-Based Drug Design Strategies (2015, methodology): “Once a ligand-receptor complex has been determined, biological activity data are correlated to the structural information [18].”
DREADDs for Neuroscientists (2016, background): “Additionally, my lab and collaborators have used these structures for the successful structure-guided discovery of novel small molecule modulators (Weiss et al., 2013; Carlsson et al., 2011; Shoichet and Kobilka, 2012; Huang et al., 2015b).”
Cloud-based simulations on Google Exacycle reveal ligand-modulation of GPCR activation pathways (2013, background): “(27) Using MSMs to incorporate the rich structural data reported here into this process creates an opportunity for developing drugs that interact more closely with diverse receptor states(28), for overall increased efficacy and specificity.”
GPCR Network: a large-scale collaboration on GPCR structure and function (2012, unknown): “Following their successful applications to kinases, proteases and other protein target families, structure-based ligand screening technologies are now becoming an important part of the GPCR drug discovery process in pharmaceutical and biotechnology companies 53,54 .”