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. 2021 Sep 17;26(18):5647. doi: 10.3390/molecules26185647

Table 1.

ROC monomers MM/PBSA-binding free energy (kcal/mol) *.

Systems Representative Binding Free Energy Standard Deviations
ROCs-GDP S3GDP −296.39 19.71
ROCs-GTP S2GTP −285.09 23.52
ROCsR1441C-GDP S5GDPR1441C −276.31 18.02
ROCsR1441G-GDP S5GDPR144G −274.93 17.48
ROCsR1441H-GDP S2GDPR144H −274.98 17.64

* The MM/PBSA-binding free energies between ROC monomers serve as an indicator for ROC dimerization extent.