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Showing 1–4 of 4 results
Advanced filters: Author: Ghoncheh Mashayekhi Clear advanced filters
  • The opening mechanism of the SARS-CoV-2 spike protein has been studied by integrating computational and experimental data. Combining weighted ensemble molecular dynamics simulations, biolayer interferometry and ManifoldEM analysis of cryo-EM data revealed that the glycan at N343 plays a gating role in the opening mechanism of the SARS-CoV-2 spike protein.

    • Terra Sztain
    • Surl-Hee Ahn
    • Rommie E. Amaro
    Research
    Nature Chemistry
    Volume: 13, P: 963-968
  • There is a great interest in retrieving functional pathways from cryo-EM single-particle data. Here, the authors present an approach that combines cryo-EM with advanced data-analytical methods and molecular dynamics simulations to reveal the functional pathways traversed on experimentally derived energy landscapes using the ryanodine receptor type 1 as an example.

    • Ali Dashti
    • Ghoncheh Mashayekhi
    • Abbas Ourmazd
    ResearchOpen Access
    Nature Communications
    Volume: 11, P: 1-14