Figure 5. Violinplots of weights for the ROGER optimized RosettaDock scoring function.

Default reference weights are shown in grey diamonds. fa_atr and fa_rep represent Lennard-Jones terms (attractive and repulsive). fa_dun corresponds to the internal energy of sidechain rotamers as derived from Dunbrack's; fa_sol is the Lazaridis Karplus solvation energy and fa_pair is the statistics based pair term, known to favour salt bridges for proteins. Remaining are H bond terms for long-range and short-range interactions for both backbone (bb) and side-chain (sc) terms. Last term (hack_elec) represents the empirical electrostatics contribution.