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DOE OSTI · 1811504

MorphOT: transport-based interpolation between EM maps with UCSF ChimeraX

Ecoffet, Arthur·Poitevin, Frédéric·Dao Duc, Khanh
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Abstract

Cryogenic electron microscopy (cryo-EM) offers the unique potential to capture conformational heterogeneity, by solving multiple three-dimensional classes that co-exist within a single cryo-EM image dataset. To investigate the extent and implications of such heterogeneity, we propose to use an optimal-transport-based metric to interpolate barycenters between EM maps and produce morphing trajectories.

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Ecoffet, Arthur, Poitevin, Frédéric, Dao Duc, Khanh. 2020-12-27. MorphOT: transport-based interpolation between EM maps with UCSF ChimeraX. https://doi.org/10.1093/bioinformatics%2Fbtaa1019

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