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Research data supporting "Energy Landscapes and Persistent Minima"

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DataCite Commons2021-04-30 更新2024-08-25 收录
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Kinetic transition networks (databases of connected stationary points on the potential energy surface) for dialanine and tetraalanine peptides, the 38-atom Lennard-Jones cluster, a 60-atom binary Lennard-Jones mixture, a 69-bead model protein, binding modes for influenza virus, and a UUCG RNA tetraloop. These networks, obtained in previous work, are analysed here using topological persistence, to obtain subsets of local minima and hence a reduced description of the underlying energy landscape.

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2021-04-30
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