Tetramerization of AMPA-receptors - almost no effect of TARPs. I start to wonder what they are for...solid work as ever from the Wollmuth lab.
#GlutamateReceptors #IonChannels
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: https://www.nature.com/articles/s41467-020-14573-w). In contrast, the multisite model is accurate in energy and validated in hydration statistics.
https://chemrxiv.org/engage/chemrxiv/article-details/631f1665faf4a4165e0f0d5f
#biophysics #GlutamateReceptors #MolecularDynamics #dynion #Electrophysiology #ionchannels #calcium
#biophysics #moleculardynamics #dynion #electrophysiology #IonChannels #calcium #GlutamateReceptors