Fig. 1: Dataset diversity for GPCR class, receptor type and ligand type. | Nature Communications

Fig. 1: Dataset diversity for GPCR class, receptor type and ligand type.

From: Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways

Fig. 1

Newly introduced features in the second GPCRmd edition are displayed in bold. a Receptor type of the structures simulated in the second GPCRmd edition (this publication) versus the first GPCRmd round14. b GPCR class and ligand type of the first GPCRmd edition (top), the second GPCRmd edition (middle) and the total dataset on GPCRmd (bottom). The reported ‘unknown’ ligand type refers to cases where a crystallisation adjuvant molecule is found inside the orthosteric pocket74. Source data are provided in the Source Data file.

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