A Study On Protein And RNA Folding Simulation

Protein and ribonucleic acid(RNA) are important macromolecule in organism.Almost every life activity can not be completed without proteins. How does the protein fold from a DNA sequence to an integral individual with varieties of functions, is a vital science problem. People did lots of experiments and achieved remarkble results but the problem still remains unsettled. RNA molecules is the genetic information carrier. People start to study RNA later than proteins, and it also seems to be more complex. People know very few about the RNA folding till now. Thanks to the computer simulation, we can do lots of research about protein and RNA folding, which can help us learn more about the nature of the folding prosess. By studying this we may use it to guide the experience and to cure some unique disease by changing the sequence of protein and RNA. In this article,we studied the protein and RNA folding using Gō model.At the first part of my work,we conduct the simulation of protein folding using Gōmodel. By changing the charge of Bacillus caldolyticus(Bc-Csp)., we studied the effect of electrostatic interactions. Our result shown, the S48E/V62 H mutant of Bc-csp have better thermostability and higher unfolding rate than the wile-type Bc-Csp without changing its two-state folding mechanism. Also, we observed that the mutation make the C-terminal become more stable, while has little contribution to the N-terminal. The folding kinetics pathway is also seems to be changed.Then at the following part of my article, we write a fortran program with Gō model and conduct the kinetics simulation. In the program we use a three point model, and take the bases and stacking interaction into consideration. Our simulation works well in studying folding mechanism of riboswitch and tetrahymena ribozyme. And then we make a comment about our simulation.