Is there a way to display protein grid points for different properties and probes so that docked ligands can be visualized in the context of grids? This would help to identify complementarity between ligands and a protein.

You can use SiteMap to generate grids for various potentials (e.g. Coulomb, van der Waals, hydrophobic, hydrophilic) and display them in Maestro as surfaces. You can also map the electrostatic potential or partial charges onto a molecular surface for the receptor, using colors to represent the values. Note that the Glide grids cannot be used to display surfaces.

Keywords: grids, potentials, surfaces, ligand-protein interaction

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