mdCATH: A Large-Scale MD Dataset for Data-Driven Computational Biophysics

Abstract Recent advancements in protein structure determination are revolutionizing our understanding of proteins. Still, a significant gap remains in the availability of comprehensive datasets that focus on the dynamics of proteins, which are crucial for understanding protein function, folding, and...

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Bibliographic Details
Main Authors: Antonio Mirarchi, Toni Giorgino, Gianni De Fabritiis
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:Scientific Data
Online Access:https://doi.org/10.1038/s41597-024-04140-z
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