#qmmm — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #qmmm, aggregated by home.social.
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How Do OH– and H3O+ Recombine in Water Nanodroplets?
Effects of spatial confinement on the recombination of autodissociated water ions investigated
https://www.chemistryviews.org/how-do-oh-and-h3o-recombine-in-water-nanodroplets/#nanochemistry #nanodroplets #QMMM #chemistry #chemistryviews #chemviews
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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
https://pubs.acs.org/doi/10.1021/acs.jcim.2c01494
Vol63 Issue4 #JCIM #compchem
#biophysics