Biophysical journalMolecular Dynamics SimulationShal Potassium ChannelsSpider VenomsProtein BindingAnimals
Multiscale molecular dynamics simulations identify SNX-482/KV4.3 binding determinants.
Guido Mellado, Jonathan Saavedra, Ignacio Lincolao-Venegas, Jose Antonio Garate, Alan Neely
Published: 202610.1016/j.bpj.2025.10.029
Abstract
Gating-modifying peptide toxins preferentially bind to the voltage-sensing domain KV4.3 voltage-gated potassium channels, and the molecular determinant of this interaction remains unclear. Through unconstrained multiscale molecular dynamics simulatio…
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