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. 2017 Nov 9;10:357. doi: 10.3389/fnmol.2017.00357

Figure 5.

Figure 5

BFE values of structurally different HDACi against HDAC1 and HDAC enzymes in frozen state where no flexibility was given to receptor. The binding free energy values reflect the affinity of ligand toward receptor. More negative the value, more is the affinity and vice versa.