Docking Approaches
Two approaches are particularly popular within the molecular docking community. One approach uses a matching technique that describes the protein and the ligand as complementary surfaces. The second approach simulates the actual docking process in which the ligand-protein pairwise interaction energies are calculated. Both approaches have significant advantages as well as some limitations. These are outlined below.
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“Perfect happiness I believe was never intended by the deity to be the lot of any one of his creatures in this world; but that he has very much put in our power the nearness of our approaches to it, is what I steadfastly believe.”
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