Image: PEF comparison
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Description: Potential energy functions for evaluating protein conformations range from quantum mechanics, which is accurate but very slow, to more heuristic energy functions that include statistical terms. In between are molecular mechanics potential energy functions, which are the most thoroughly tested models of molecular energetics. Currently, the protein design field uses heuristic energy functions, but the trend is towards using more physically based potential energy functions.
Author: Edboas
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License: CC-BY-SA-3.0
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