Andrew Plested · @andrewplested
294 followers · 1262 posts · Server mstdn.science

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.

jbc.org/article/S0021-9258(23)

#GlutamateReceptors #IonChannels

Last updated 1 year ago

Andrew Plested · @andrewplested
231 followers · 632 posts · Server mstdn.science

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 #moleculardynamics #dynion #electrophysiology #IonChannels #calcium #GlutamateReceptors

Last updated 2 years ago