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Our approach showed the best performance by finding the most potent ligand among the top 1% ranked compounds for 25 protein targets (439%) among the top 5% for 35 targets (614%) and among the.
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Substratelevel regulation relief strategies lead to 132 g L1 predicted improvement in ethanol titer (Koes et al 2013) Specifically the centroid of the residues predicted to be a part of the binding site was used as the center of the grid and the sizes of the inhibitor to be docked (plus a buffer of 5Å in the x y and z directions) were used as the dimensions of the.
