Correlation
plots of experimentally determined binding affinities
with (A) the original HADDOCK score (Evdw + 0.2Eelec + Edesol) and (B) the optimized HADDOCK2P2I score.
(C) Prediction of affinities for inhibitors of bromodomains that recognize
acetylated histone tails for complexes 1–5 corresponding to
PDB IDs 3ONI, 4FLP, 3MXF, 3P5O, and 3ZYU, respectively.