Studying the Arm's Flexibility of Each Chain of Small Heat Shock Protein as a Nano Actuator

In this paper, the behavior of small heat shock protein in the effect of temperature changes is studied based on molecular dynamics (MD) simulation. Conformational changes of one and two chains are investigated at constant temperature (310 K) which is defined as normal condition and variable temperatures. Simulation results indicate that by reducing the ambient temperature, one chain of small heat shock protein is able to capture a nanocargo by changing the configuration of the arm. So the arm of each chain is very flexible. However, when two chains are considered, the behaviors of the arms due to an external force are not similar. When an arm is shrunk, the other one is spread. This opposite behavior can be seen in the displacement of central cavity. So the arm is appropriate place to carrying a nano cargo and temperature can be introduced as a control variable for tuning the displacement of arm.