Disentangling Rotational Dynamics and Ordering Transitions in a System of Self-Organizing Protein Nanorods

deep learning latent space models representation learning self-assembly variational autoencoder

Journal

ACS nano
ISSN: 1936-086X
Titre abrégé: ACS Nano
Pays: United States
ID NLM: 101313589

Informations de publication

Date de publication:
27 04 2021
Historique:
pubmed: 17 4 2021
medline: 17 4 2021
entrez: 16 4 2021
Statut: ppublish

Résumé

The dynamics of complex ordering systems with active rotational degrees of freedom exemplified by protein self-assembly is explored using a machine learning workflow that combines deep learning-based semantic segmentation and rotationally invariant variational autoencoder-based analysis of orientation and shape evolution. The latter allows for disentanglement of the particle orientation from other degrees of freedom and compensates for lateral shifts. The disentangled representations in the latent space encode the rich spectrum of local transitions that can now be visualized and explored

Identifiants

pubmed: 33861068
doi: 10.1021/acsnano.0c08914
doi:

Types de publication

Journal Article Research Support, U.S. Gov't, Non-P.H.S.

Langues

eng

Sous-ensembles de citation

IM

Pagination

6471-6480

Auteurs

Sergei V Kalinin (SV)

Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.

Shuai Zhang (S)

Materials Science and Engineering, University of Washington, Seattle, Washington 98195, United States.
Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States.

Mani Valleti (M)

Bredesen Center for Interdisciplinary Research, University of Tennessee, Knoxville, Tennessee 37996, United States.

Harley Pyles (H)

Department of Biochemistry, University of Washington, Seattle, Washington 98195, United States.
Institute for Protein Design, University of Washington, Seattle, Washington 98195, United States.

David Baker (D)

Department of Biochemistry, University of Washington, Seattle, Washington 98195, United States.
Institute for Protein Design, University of Washington, Seattle, Washington 98195, United States.
Howard Hughes Medical Institute, University of Washington, Seattle, Washington 98195, United States.

James J De Yoreo (JJ)

Materials Science and Engineering, University of Washington, Seattle, Washington 98195, United States.
Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States.

Maxim Ziatdinov (M)

Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.
Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.

Classifications MeSH