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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 3

Binding free energy, average binding potential energy, and solvation free energy (kcal/mol) of P1–14, C1, N1 and D1 calculated by M2.

doi: https://doi.org/10.1371/journal.pcbi.1005057.t003