PETIMOT: a novel framework for inferring protein motions from sparse data using SE(3)-equivariant graph neural networks

Lombard, V.; Van, J.N.; Grudinin, S.; Laine, E.

doi:10.1107/S2059798326006054

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 16
Visualization of ground-truth and predicted motion vectors for PDB entry 1oqf (chain A). Ground-truth main motions are depicted as yellow arrows. The best-matching motions predicted by PETIMOT (fourth) and BioEmu (first) are colored blue and magenta, respectively.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 82| Part 8| August 2026|

https://doi.org/10.1107/S2059798326006054

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