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

Journal Article · 26 December 2020 · Bioinformatics

DOI:https://doi.org/10.1093/bioinformatics/btaa1019· OSTI ID:1811504

Ecoffet, Arthur ^[1]; Poitevin, Frédéric ^[2]; Dao Duc, Khanh ^[3]

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1. Univ. of British Columbia, Vancouver, BC (Canada); Ecole Polytechnique, Palaiseau (France)
2. SLAC National Accelerator Lab., Menlo Park, CA (United States). Linac Coherent Light Source (LCLS)
3. Univ. of British Columbia, Vancouver, BC (Canada)

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.

• Research Organization: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Grant/Contract Number: AC02-76SF00515
• OSTI ID: 1811504
• Journal Information: Bioinformatics, Journal Name: Bioinformatics Journal Issue: 22-23 Vol. 36; ISSN 1367-4803
• Publisher: International Society for Computational Biology - Oxford University Press
• Country of Publication: United States
• Language: English

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