Computational modeling of an ion-driven nanomotor

Abstract

The dynamics of an ion-driven rotary nanomotor, mimicking the F0 part of the ATPase biomolecular motor, in the presence, and absence, of an external electric field have been simulated via the application of the stochastic molecular dynamics (MD) method. The rotary motion of the proposed motor arises as a result of an ion gradient established between the outer and inner parts of the environment within which the motor is embedded. We show that the operation of this motor can be controlled by such parameters as the amount of the positive ions placed in the stator part of the motor, the density of the positive ions, and the strength and frequency of the applied electric field. © 2008 Elsevier Inc. All rights reserved.