肌红蛋白初级至螺旋结构的蒙特卡罗模拟

Monte Carlo simulation of myoglobin primary to helical structure.

作者信息

Anastasiou N, Croxton C A

机构信息

Department of Mathematics, Statistics and Computer Science, University of Newcastle, N.S.W., Australia.

出版信息

J Biomol Struct Dyn. 1985 Feb;2(5):871-8. doi: 10.1080/07391102.1985.10507606.

DOI:10.1080/07391102.1985.10507606

PMID:3916935

Abstract

A Monte Carlo simulation is presented of the formation of the individual helices of myoglobin from their primary to their helical structures. A simplified model in which each amino acid residue is replaced by a single interaction center is used. The small helices formed are in good agreement with experiment, while the larger helices are moderately well reproduced.

摘要

本文给出了一个关于肌红蛋白从其一级结构形成螺旋结构的蒙特卡罗模拟。使用了一个简化模型，其中每个氨基酸残基被一个单一的相互作用中心所取代。形成的小螺旋与实验结果吻合良好，而较大的螺旋则得到了适度的良好再现。