Exploring transition states of protein conformational changes via out-of-distribution detection in the hyperspherical latent space
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DOI: 10.1038/s41467-024-55228-4
Abstract: Identifying transitional states is crucial for understanding protein conformational changes that underlie numerous biological processes. Markov state models (MSMs), built from Molecular Dynamics (MD) simulations, capture these dynamics through transitions among metastable conformational states, and… read more here.
Keywords: transition states; states protein; conformational changes; protein conformational ... See more keywords