The conformational properties and elastic behaviors of protein-like single chains in the process of tensileelongation were investigated by means of Monte Carlo method.The sequences of protein-like single chains contai...The conformational properties and elastic behaviors of protein-like single chains in the process of tensileelongation were investigated by means of Monte Carlo method.The sequences of protein-like single chains contain two typesof residues:hydrophobic(H)and hydrophilic(P).The average conformations and thermodynamics statistical properties ofprotein-like single chains with various elongation ratio λ were calculated.It was found that the mean-square end-to-enddistance<R^2>(?).increases with elongation ratio λ.The tensor eigenvalues ratio of<L_2~2>:<L_1~2>decreases with elongationratio λ for short(HP)_x protein-like polymers,however,the ratio of<L_3~2>:<L_1~2>increases with elongation ratio λ,especially for long (H)_x sequence.Average energy per bond increases with elongation ratio λ,especially for (H)_xprotein-like single chains.Helmholtz free energy per bond also increases with elongation ratio λ.Elastic force(f),energycontribution to force(f_U)and entropy contribution to force(fs)for different protein-like single chains were also calculated.These investigations may provide some insights into elastic behaviors of proteins.展开更多
基金The research was financially supported by the National Natural Science Foundation of China(Nos.20174036,20274040)the Natural Science Foundation of Zhejiang Province(No.R404047).
文摘The conformational properties and elastic behaviors of protein-like single chains in the process of tensileelongation were investigated by means of Monte Carlo method.The sequences of protein-like single chains contain two typesof residues:hydrophobic(H)and hydrophilic(P).The average conformations and thermodynamics statistical properties ofprotein-like single chains with various elongation ratio λ were calculated.It was found that the mean-square end-to-enddistance<R^2>(?).increases with elongation ratio λ.The tensor eigenvalues ratio of<L_2~2>:<L_1~2>decreases with elongationratio λ for short(HP)_x protein-like polymers,however,the ratio of<L_3~2>:<L_1~2>increases with elongation ratio λ,especially for long (H)_x sequence.Average energy per bond increases with elongation ratio λ,especially for (H)_xprotein-like single chains.Helmholtz free energy per bond also increases with elongation ratio λ.Elastic force(f),energycontribution to force(f_U)and entropy contribution to force(fs)for different protein-like single chains were also calculated.These investigations may provide some insights into elastic behaviors of proteins.
