Table 1 The binding free energy (ΔGbinding) of SAHA and PCI-34051 calculated by MM/PBSA according to the MD trajectory
From: Binding mechanism and distant regulation of histone deacetylase 8 by PCI-34051
Ligand | ΔGbinding (kJ/mol) |
|---|---|
SAHA | −33.04 |
PCI-34051 | −38.05 |
