"A new molecular dynamic model for nano sized motor proteins"

Prof. Alan Bowling
Dept of Mechanical and Aerospace Engineering, University of Texas at Arlington

This work involves the development of a new model for motor proteins whose most significant feature is that the mass properties are retained; the common practice is to omit the mass properties from the model. This omission is the basis for many well-known models such as the Langevin equations. The new model also suggests different interpretations of the characteristics of the physical environment that the protein inhabits. One of these is a breakdown in the notion of the existance of a continuous medium at the nano-scale that allows for under damped motion of the protein. In addition, retaining the mass allows the application of several theories on contact and impact modeling in order to study docking of the protein with the substrate. These contact/impact analyses are dependent on the mass properties retained in the new model.
The new model is based on the notion of a force cancellation occurring at the nano-scale, which brings all of the terms in the model into proportion, thereby allowing a faster numerical integration which is drastically shorter than atomistic simulations. These benefits combine to make further investigation of the model worthwhile.