Additional file 1 of One class classification for the detection of β2 adrenergic receptor agonists using single-ligand dynamic interaction data

Luca Chiesa & Esther Kellenberger
Additional file 1: Figure S1. Average and crystallographic interaction fingerprints for the three reference agonists. Figure S2. RMSD of the binding site residues during the simulation of the BI167107-ADRB2 complex. Figure S3. Pairwise RMSD of the four reference trajectories. Figure S4. Pairwise RMSD of the representative structures used for docking. Figure S5. RMSD of the binding site residues during the simulation of the epinephrine-ADRB2 complex. Figure S6. RMSD of the binding site residues during the...
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