Three-level multilevel simulation of the neuroreceptor function of NMDA

2021/04/16 by Francesco Di Palma, Di Palma, Francesco, Sauro Succi +9
Biochemistry, Genetics and Molecular Biology · Chemistry · Neuroscience · #Advanced NMR Techniques and Applications #Biological Physics (physics.bio-ph) #FOS: Physical sciences #Neural dynamics and brain function #Protein Structure and Dynamics

paper · pdf · doi:10.48550/arxiv.2104.10760

openalex publication_date 2021/04/16 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

We present a new multiscale 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.

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