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Each structure was solved by molecular replacement using modified homology models created with the FFAS03 program [ 73].
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Homology models were built using Modeler 9v4.
Homology models of proteins are built using Modeller [ 65].
The five homology models referenced for sponge are the first five homology models generated by Modeller.
The homology models of the B2AR were constructed.
Crystal structures significantly outperformed homology models in both assessments.
Homology models of Rpf1 and Has1 were created by SWISS-MODEL (Biasini et al., 2014).
Docking was performed to the homology model of the SZ502 and SZ503 homology models using Glide (2014) with the standard precision (SP) settings.
Additional homology models were also prepared in the same manner for deactivated M2R structure (4MQS).
Additional analysis was also performed for homology models with up to 20 receptor conformations considered.
For homology models, MCC values obtained for actives/true inactives discrimination were the lowest (~0.5 – 0.55).
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