Protocol for Simulating the Effect of THz Electromagnetic Field on Ion Channels

Abstract

Terahertz (THz) electromagnetic fields are increasingly recognized for their crucial roles in various aspects of medical research and treatment. Recent computational studies have demon-strated that THz waves can modulate ion channel function by interacting with either the channel proteins or the bound ions through distinct mechanisms. Here we outline a universal simulation protocol to identify the THz frequencies that may affect ion channels, which consists of frequency spectrum analysis and ion conductance analysis. Following this protocol, we studied the effect of THz field on a CaV channel and found a broad frequency band in 1 to 20 THz range. We believe that this protocol, along with the identified characteristic frequencies, will provide a theoretical foundation for future terahertz experimental studies.