Figure 4From: Modelling substrate specificity and enantioselectivity for lipases and esterases by substrate-imprinted dockingFlowchart of the conventional docking. Starting from one enzyme structure (Enz1) and one substrate in a reaction intermediate form (Sub1), the substrate is covalently docked into the structure. The resulting substrate poses are classified according to geometric filter criteria into productive and non-productive, and ranked by docking score.Back to article page