PREDICTION OF ALPHA-HELIX FOLDING OF ISOLATED C-PEPTIDE OF RIBONUCLEASE A BY MONTE-CARLO SIMULATED ANNEALING

被引：72

作者：

KAWAI, H

OKAMOTO, Y

FUKUGITA, M

NAKAZAWA, T

KIKUCHI, T

机构：

[1] UNIV TOKYO, DEPT PHYS, TOKYO 113, JAPAN

[2] KYOTO UNIV, YUKAWA INST THEORET PHYS, KYOTO 606, JAPAN

[3] NARA WOMENS UNIV, DEPT CHEM, NARA 630, JAPAN

[4] UNIV TOKYO, DEPT PHARMACEUT SCI, TOKYO 113, JAPAN

来源：

CHEMISTRY LETTERS | 1991年 / 02期

关键词：

D O I：

10.1246/cl.1991.213

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Conformation of the C-peptide fragment of RNase A is calculated by Monte Carlo simulated annealing. Starting from completely random initial conformations and minimizing the total potential energy without any bias, we obtained partial alpha-helix structure with a high probability (almost-equal-to 40%). The energetically most favorable structure exhibits a 2.5-turn alpha-helix. The results of simulation are consistent with the experimental implication for the role of charged residues for alpha-helix stability in this peptide.

引用

页码：213 / 216

页数：4

共 10 条

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