Two-pore domain channels control cell excitability by modulating background potassium currents in response to several physicochemical stimuli. Thanks to the many crystal structures available, the TRAAK channel is one of the most studied, but little is known about its functional dynamics. Here, we explore TRAAK functionality complementing molecular dynamics with Brownian dynamics in a multiscale-modeling framework. We identify potential states of the channel that can prevent ion conduction, and we demonstrate that the suppression of currents is consistent with the presence of lipids inside the cavity.

Masetti, M., Berti, C., Ocello, R., Di Martino, G.P., Recanatini, M., Fiegna, C., et al. (2016). Multiscale Simulations of a Two-Pore Potassium Channel. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12(12), 5681-5687 [10.1021/acs.jctc.6b00972].

Multiscale Simulations of a Two-Pore Potassium Channel

MASETTI, MATTEO;OCELLO, RICCARDO;RECANATINI, MAURIZIO;FIEGNA, CLAUDIO;CAVALLI, ANDREA
2016

Abstract

Two-pore domain channels control cell excitability by modulating background potassium currents in response to several physicochemical stimuli. Thanks to the many crystal structures available, the TRAAK channel is one of the most studied, but little is known about its functional dynamics. Here, we explore TRAAK functionality complementing molecular dynamics with Brownian dynamics in a multiscale-modeling framework. We identify potential states of the channel that can prevent ion conduction, and we demonstrate that the suppression of currents is consistent with the presence of lipids inside the cavity.
2016
Masetti, M., Berti, C., Ocello, R., Di Martino, G.P., Recanatini, M., Fiegna, C., et al. (2016). Multiscale Simulations of a Two-Pore Potassium Channel. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12(12), 5681-5687 [10.1021/acs.jctc.6b00972].
Masetti, Matteo; Berti, Claudio; Ocello, Riccardo; Di Martino, Giovanni Paolo; Recanatini, Maurizio; Fiegna, Claudio; Cavalli, Andrea
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/579310
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