This directory contains 7 workflows.
Docks the compounds with Glide. The docking pose are minimized to a local minimum and a conformational search is run to find the global minimum. Calculates […]
Docks the compounds with Glide. Also generates the protein surface and changes the rendering of the binding site (atoms displayed, residues labelled and the […]
Docks the compounds with Glide and changes the rendering of the binding site (atoms displayed, residues labelled and the atom representation) to highlight […]
Docks the compounds with Glide in 2 binding site conformations and reports the binding site conformation where it scores the best and the corresponding […]
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