Fig. S2.

Speedup of the FMFT appproach over PIPER as a function of the number of correlations. Although FMFT is generally faster than PIPER by an order of magnitude, the difference further increases with the increasing number of correlation terms, allowing for routine use of much more complex correlation-based energy functions. All execution times were measured on the E2A-HPr system and averaged over three runs. Additional correlation terms used were extra-repulsive van der Waals energy components, reweighted to provide a constant repulsive van der Waals contribution.