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. 2019 Jul 2;5(8):1330–1341. doi: 10.1021/acscentsci.8b00912

Figure 2.

Figure 2

Comparison of Rosetta and Rosetta with SID. For each subcomplex, 10 000 structures were generated using unrestrained RosettaDock and rescored using the developed Bayesian SID docking score (which is a linear combination of the RosettaDock score and a developed SID score). For each of the nine subcomplexes, the lowest RMSD among the top three scoring structures is shown. Rosetta with SID showed an improved ability over the RosettaDock score to identify nativelike structures within the top three scoring models. In 6/9 cases, the pose with the best RMSD of the top three scoring poses from Rosetta with SID was within 2 Å from the native while only 3/9 cases using RosettaDock gave sub-2 Å RMSD models.