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. 2024 Jul 7;25(13):7468. doi: 10.3390/ijms25137468

Figure 6.

Figure 6

Root mean square fluctuation (RMSF) in the binding of mirabegron and tamsulosin to the human α1A-adrenoceptor. RMSF for slope and horizontal mirabegron binding and vertical tamsulosin binding to human α1A-adrenoceptor (PDB ID 7YMH) was assessed using GROMACS for the initial 100 nanoseconds of binding. RMSF reflects average deviations of atomic positions from their mean positions during molecular dynamics simulations. Amino acids 215 to 261 in the A chain of α1A are not included in the examined 3D structure of α1A (7YMH), and thus, these residues were not included in the RMSF analysis.