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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

Fig 9

Computed configurational entropy contribution, <-TΔS> and energy contribution, Δ<U+W>, for P1–14 and C1, N1 and D1.

<-TΔS> vs Δ<U+W> is plotted using tight peptide binders P1–P12.

doi: https://doi.org/10.1371/journal.pcbi.1005057.g009