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001     902785
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037 _ _ |a FZJ-2021-04556
041 _ _ |a English
100 1 _ |a Tan, Zihan
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111 2 _ |a INM & IBI Retreat 2021
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245 _ _ |a Mesoscopic modeling of postsynaptic Signal Transduction
260 _ _ |c 2021
336 7 _ |a Conference Paper
|0 33
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500 _ _ |a References:[1] D. Hilger, M. Masureel, and B. K. Kobilka, Nat. Struct. Mol. Biol., 25, 4 (2018).[2] S. Ferréa, F. Ciruelab, V. Casadóc, and L. Pardod, Prog. Mol. Biol. Transl. Sci., 169, 297 (2020)[3] Z. Tan, V. Calandrini J. K. G. Dhont, G. Nägele, and R. G. Winkler, Soft Matter, 17, 7978 (2021).
520 _ _ |a Neuronal signal transduction plays a central role in brain functioning, and it involves molecular signaling cascades in which different biomacromolecules are diffusing and interacting. These electrochemical cascades are initiated in the two-dimensional postsynaptic cell membrane and three-dimensional cytosol, and they are responsible for information transmission and regulation of biological processes related to memory, learning, and mood. Specifically, interactions and mobilities of postsynaptic membrane proteins are altered depending on their location in or near to the membrane. Studies suggest that G-protein coupled receptors (GPCRs) can form dimers/oligomers inside the membrane [1], thereby affecting their transport and hence signaling [2]. To date, the links between spatio-temporal correlations of membrane macromolecules and the neuronal cascades are not resolved. To explore how diffusion mechanism, direct and hydrodynamic interactions, and oligomerization of membrane proteins affect the regulation of neurotransmission, we have developed a mesoscale model of first-stage postsynaptic signaling, using accordingly adjusted multiparticle collision dynamics (MPC) and Langevin dynamics simulation methods. The newly developed, coarse-graining MPC algorithm [3] allows to model postsynaptic proteins as Brownian particles migrating inside and alongside a three-layer immiscible binary fluid. This work is a collaboration with INM-9, with a shared Vorstand-Doktorand, and IBI-5.
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700 1 _ |a Calandrini, Vania
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700 1 _ |a Dhont, Jan K.G.
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700 1 _ |a Winkler, Roland G.
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700 1 _ |a Naegele, Gerhard
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