Neural Upscaling from Residue-Level Protein Structure Networks to Atomistic Structures

Neural Upscaling from Residue-Level Protein Structure Networks to Atomistic Structures

Coarse-graining is a powerful tool for extending the reach of dynamic models of proteins and other biological macromolecules. Topological coarse-graining, in which biomolecules or sets thereof are represented via graph structures, is a particularly useful way of obtaining highly compressed represent...

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Bibliographic Details
Main Authors: Vy T. Duong, Elizabeth M. Diessner, Gianmarc Grazioli, Rachel W. Martin, Carter T. Butts
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Biomolecules
Subjects:
coarse-grained models
molecular dynamics
protein structure networks
intrinsically disordered proteins
machine learning
Online Access:https://www.mdpi.com/2218-273X/11/12/1788

Internet

https://www.mdpi.com/2218-273X/11/12/1788

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