Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank

Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank

Rationalizing the structure and structure–property relations for complex materials such as polymers or biomolecules relies heavily on the identification of local atomic motifs, e.g., hydrogen bonds and secondary structure patterns, that are seen as building blocks of more complex supramolecular and...

Full description

Bibliographic Details
Main Authors: Benjamin A. Helfrecht, Piero Gasparotto, Federico Giberti, Michele Ceriotti
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-04-01
Series:Frontiers in Molecular Biosciences
Subjects:
atomistic and molecular simulation
machine learning
biomolecules
molecular motifs
hydrogen bonds
secondary structure
Online Access:https://www.frontiersin.org/article/10.3389/fmolb.2019.00024/full

Internet

https://www.frontiersin.org/article/10.3389/fmolb.2019.00024/full

Similar Items