Figure 2
From: Quantum biochemical analysis of the TtgR regulator and effectors
Total interaction energy (in kcal/mol) of the TtgR complex ligands as a function of the binding pocket radius r (in Å) was calculated using the functional GGA B97D within the MFCC scheme. Two dielectric constants are: \(\varepsilon\) = 10 and 40. The highlighted amino acid residues are those responsible for the largest binding energies.
