SIMULATION STUDIES ON THE DIFFUSION COEFFICIENT OF PROTEIN-LIKE CHAINS

Abstract

Dynamics of protein-like chains are investigated by using Monte Carlo simulation method based on the modified orientation-dependent monomer-monomer interactions model (ODI). The diffusion coefficients for different chain length are calculated,and some comparisons with self-avoiding chains are also made. There exists a relationship between the diffusion coefficient D and chain length N for both protein-like chains and SAW chains,i.e D～N~-α . Here the value of α for SAW chains is 1.02,however,the value of α for protein-like chains is 4.75,which is 4～5 times larger than that of SAW chains. Therefore,dynamics of protein-like chains is different from SAW chains completely. These investigations may provide some insights into dynamics of proteins.