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. 2019 May 3;33(6):531–558. doi: 10.1007/s10822-019-00203-1

Fig. 9.

Fig. 9

Performance of ForceGen (-pquant) on ring RMSD (thick purple line) and all heavy atom RMSD (green line) compared with results from the MacroModel approach (thin blue and yellow lines, test set values from [11]) using the 150 molecule Shelley Set. Three typical examples are shown (FAGFEZ, ABOMOT, and ICYSPA), each exhibiting stabilization with multiple internal hydrogen bonds. The last atypical example (Swinholide A) is a very large macrocycle with no specific stabilizing interactions