SGER: A Mechanics Framework for the Analysis and Design of Protein Based Nano Machines

University Of Connecticut, Storrs CT

Investigators

Abstract

The research objective of this award is to apply motion analysis methods from the fields of mechanisms and robotics to predict the changes in the three dimensional structure of proteins in the presence of external stimuli. The underlying premise of this work is that protein molecules are elementary mechanical devices at nanoscales, and therefore can be considered the building blocks of functional nano machines. Specifically, we propose a novel methodology that bypasses the traditional molecular dynamic simulations, which are known to have prohibitively high computational cost. Our methodology, referred to as "Successive Kineto-Static Compliance", is predicting the compliance of the molecule structure under applied external forces. The ability to characterize and predict the mechanical properties of the deforming proteins will provide the foundations for the synthesis and analysis of nano-machines that are based on functional proteins. If successful, the results of this project will represent a first major step toward the development of an algorithmic framework for the design and analysis of protein based nano machines. These capabilities are paramount in any attempts to formalize the engineering design and manufacturing at nanoscales. The broader impacts of this project range from proteomics, medicine, and rational drug design to bio-computers, bio-robots, and biosensors. By combining traditional engineering education with knowledge from biology and biochemistry, as well as computational skills, this program will help develop a new generation of professionals that will be instrumental in helping the advance of research, development and commercial applications of nanotechnologies.