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  1. Andrew Plested @[email protected] ·

    Beautiful study from my colleagues in the #dynion consortium about potassium #IonChannels gating by the ion selectivity filter. The connection of the membrane interaction, phosphorylation and conduction is very elegant.

    From: @bioRxiv_biophys
    botsin.space/@bioRxiv_biophys/

    #dynion #ionchannels
  2. Andrew Plested @[email protected] ·

    Mugs for the course arrived! Looking forward to see how far they travel. #dynion #biophysics

    #dynion #biophysics
  3. Andrew Plested @[email protected] ·

    Quantum mechanics of hydrated calcium in GluA2! Fun Collaboration as part of the #dynion @dfg_public research group.

    Mechanism of Calcium Permeation in a #Glutamate Receptor #IonChannel #MolecularDynamics #QMMM

    pubs.acs.org/doi/10.1021/acs.j

    Vol63 Issue4 #JCIM #compchem
    #biophysics

    #dynion #glutamate #ionchannel #moleculardynamics #qmmm #jcim
  4. Andrew Plested @[email protected] ·

    Compare with simulations on AMPARs (using the multisite model) where we readily see Ca2+ permeation, and confirmed water statistics and polarisation effects with QM/MM.

    In classical force fields, calcium doesn't move, it just gets stuck (see: nature.com/articles/s41467-020). In contrast, the multisite model is accurate in energy and validated in hydration statistics.

    chemrxiv.org/engage/chemrxiv/a

    #biophysics #GlutamateReceptors #MolecularDynamics #dynion #Electrophysiology #ionchannels #calcium

    #biophysics #moleculardynamics #dynion #electrophysiology #ionchannels #calcium