All Molecular Dynamics simulations articles

  • Low-Res_Na+
    News

    What drives a mysterious sodium pump?

    2026-02-16T10:24:00Z

    The enzyme Na-NQR is a sodium pump that drives the respiration of many marine and pathogenic bacteria, powering the transportation of sodium ions across the membrane. A new study found that the sodium pump changes its structure in response to electron transfer inside the protein.

  • Low-Res_IRBBarcelona_BioExcelCOVID19_lw
    News

    BioExcel-CV19 offers breakthrough in understanding COVID-19 proteins

    2024-01-09T10:11:00Z

    Designed to meet the urgent need for insights into the molecular intricacies of SARS-CoV-2 infection, BioExcel-CV19 is a repository for Molecular Dynamics (MD) simulations.