Characterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor Design
Table 2
BRCT domain−ligand Interaction Energy (kcal/mol) of P1–14 and C1, N1 and D1 calculated by molecular mechanics/Poisson-Boltzmann surface area (MM/PBSA).