Abstract
We present a new multistage method to study the N-Methyl-D-Aspartate (NMDA) neuroreceptor starting from the reconstruction of its crystallographic structure. Thanks to the combination of Homology Modelling, Molecular Dynamics and Lattice Boltzmann simulations, we analyse the allosteric transition of NDMA upon ligand binding and compute the receptor response to ionic passage across the membrane.
Anno
2021
Autori IAC
Tipo pubblicazione
Altri Autori
Di Palma F.; Succi S.; Sterpone F.; Lauricella M.; Perot F.; Melchionna S.
Editore
Taylor & Francis,
Rivista
Molecular physics (Print)
