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Neuronal networking supports complex brain functions, with neurotransmitters facilitating communication through chemical synapses. The release probability of neurotransmitters varies and is influenced by pre-synaptic neuronal activity.…
Glutamate and glycine are important neurotransmitters in the brain. An action potential prop- agating in the terminal of a presynatic neuron causes the release of glutamate and glycine in the synapse by vesicles fusing with the cell…
Uncompetitive antagonists of the N-methyl D-aspartate receptor (NMDAR) have demonstrated therapeutic benefit in the treatment of neurological diseases such as Parkinson's and Alzheimer's, but some also cause dissociative effects that have…
The N-methyl-D-aspartate receptor (NMDAR) is a crucial component of synaptic transmission, and its dysfunction is implicated in many neurological diseases and psychiatric conditions. NMDAR-based short-term postsynaptic plasticity (STPP) is…
Glycosylation is a highly complex process to produce a diverse repertoire of cellular glycans that are attached to proteins and lipids. Glycans are involved in fundamental biological processes, including protein folding and clearance, cell…
Membrane receptors for neuromodulators (NM) are highly regulated in their distribution and efficacy - a phenomenon which influences the individual cell's response to central signals of NM release. Even though NM receptor regulation is…
NMDA receptors are ion channels activated by the neurotransmitter glutamate in the mammalian brain and are important in synaptic function and plasticity, but are also found in extrasynaptic locations and influence neuronal excitability.…
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…
NMDA receptors (NMDA-R) typically contribute to excitatory synaptic transmission in the central nervous system. While calcium influx through NMDA-R plays a critical role in synaptic plasticity, experimental evidence indicates that…
Recent electrophysiological experiments have shown that dopamine (D1) modulation of pyramidal cells in prefrontal cortex reduces spike frequency adaptation and enhances NMDA transmission. Using four models, from multicompartmental to…
Glycans are the most complex biological sequence, with monosaccharides forming extended, non-linear sequences. As post-translational modifications, they modulate protein structure, function, and interactions. Due to their diversity and…
Receptor-ligand binding is a critical first step in signal transduction and the duration of the interaction can impact signal generation. In mammalian cells, clustering of receptors may be facilitated by heterogeneous zones of lipids, known…
Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framework, N$^2$AMD which employs an E(3)-equivariant deep neural…
At the neuromuscular junction (NMJ), the nicotinic acetylcholine receptor (nAChR) self-associates to give rise to rapid muscle movement. While lipid domains have maintained nAChR aggregates in-vitro, their specific roles in nAChR clustering…
Neurotensin receptor 1 (NTSR1), a member of the Class A G protein-coupled receptor superfamily, plays an important role in modulating dopaminergic neuronal activity and eliciting opioid-independent analgesia. Recent studies suggest that…
Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…
Xenon can produce general anesthesia. Its main protein target is the N-methyl-D-aspartate receptor, a ionotropic channel playing a pivotal role in the function of the central nervous system. The molecular mechanisms allowing this noble gas…
The human neurotensin receptor 1 (NTSR1) is a G protein-coupled receptor that can be expressed in HEK293T cells by stable transfection. Its ligand is a 13-amino-acid peptide that binds with nanomolar affinity from the extracellular side to…
A synapse acts on neural transmission through a chemical process called synapses fusion between pre-synaptic and post-synaptic terminals. Presynaptic terminals release neurotransmitters either in response to action potential or…
In this work we study the excitatory AMPA, and NMDA, and inhibitory GABAA receptor mediated dynamical changes in neuronal networks of neonatal rat cortex in vitro. Extracellular network-wide activity was recorded with 59 planar electrodes…