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Form finds function

Assigning function to uncharacterized enzymes discovered through genome projects has provided a great challenge to the fields of informatics, enzymology and structural biology. Docking potential ligands into flexible models of protein structures and docking potential high-energy intermediates, rather than substrates, into known structures are two new computational approaches that have provided a much-needed boost to the field.

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Figure 1: Docking potential substrates to a flexible, threaded model.

Nicholas Silvaggi

Figure 2: Docking of high-energy intermediates to a crystal structure.

Nicholas Silvaggi


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Allen, K. Form finds function. Nat Chem Biol 3, 452–453 (2007).

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