Breaking through AlphaFold's limits to predict how proteins change shape
Conformational changes in proteins are vital to their function yet remain challenging for state-of-the-art artificial intelligence, such as AlphaFold3, to predict. Researchers at the Institute for Molecular Science (IMS), and the Graduate University for Advanced Studies, SOKENDAI introduced a repulsive force between predicted structures, allowing AlphaFold3 to sample the multiple conformational states that its default settings rarely capture.
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Hayden Leigh, a forensic science graduate, is studying the hair of Boris the bear.
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