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Table 2 AutoDock Docking Results. Min and max energy fields correspond to the best LGA – global grid run. Rmsd values are taken from the clustering experiment; distances measured with the minimum-energy conformation as a reference.

From: Characterization of the cofactor-binding site in the SPOUT-fold methyltransferases by computational docking of S-adenosylmethionine to three crystal structures

structure

min docking energy [kcal/mol]

max docking energy [kcal/mol]

rmsd for top 50 clusters [Ã…]

1gz0

-14.18

-12.55

1.70

1ipa

-14.00

-12.65

1.82

1k3r

-15.01

-13.56

0.90