Electric Field-Driven Dual-Rotation in Molecular Motors: Insights from Molecular Dynamics Simulations

Abstract

Understanding the interaction between molecular motors and their environment is crucial for their practical applications. In this study, we utilized classical molecular dynamics simu- lations to investigate the dynamic behavior of molecular mo- tors in solvents and their response to external electric fields. Through manipulation of external electric fields and molecu- lar structure design, we successfully achieved a dual rotation process in molecular motors, specifically unidirectional rota- tion under certain conditions