The binding free energy of protein–ligand complexes of Apigenin and SAHA with HDAC1 and HDAC3 were calculated using the Molecular Mechanics Poisson-Boltzmann Surface Area (MM-PBSA) method109. The average binding energy was calculated by analysing 20 snapshot structures of each simulated complex from...
The binding free energy of protein–ligand complexes of Apigenin and SAHA with HDAC1 and HDAC3 were calculated using the Molecular Mechanics Poisson-Boltzmann Surface Area (MM-PBSA) method109. The average binding energy was calculated by analysing 20 snapshot structures of each simulated complex from...