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Table S1. Equilibrium contacts (in Å) predicted by force field (FF) and by MP2 calculations for urokinase inhibitors, as reported before [4]. Short contacts, for which Req(FF) < Req(MP2), are marked in bold font.

Table S2. Success rate Npred of predicting the relative stability of dimer pairs at equilibrium geometry for all 66 complexes in S66, using the CAMM expansion truncated at 1/Rn terms up to n=6, as a function of the factor R/Req scaling the shortest intermolecular contact. Best results are marked in bold font.

Figure S1. Success rate Npred of predicting the relative stability of dimer pairs at equilibrium geometry for all 66 complexes in S66, using several approximate methods and as a function of the factor R/Req scaling the shortest intermolecular contact.

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