使用激活弛豫技术对小蛋白质能量景观进行导航与分析。

Navigation and analysis of the energy landscape of small proteins using the activation-relaxation technique.

作者信息

Mousseau Normand, Derreumaux P, Gilbert G

机构信息

Département de Physique and Regroupement Québécois sur les Matériaux de Pointe, Université de Montréal, Case Postale 6128, Succursale Centre-Ville, Montréal, Québec, H3C 3J7, Canada.

出版信息

Phys Biol. 2005 Nov 9;2(4):S101-7. doi: 10.1088/1478-3975/2/4/S04.

DOI:10.1088/1478-3975/2/4/S04

PMID:16280615

Abstract

The resolution of the protein folding problem has been tied to the development of a detailed understanding of the configurational energy or of the free energy landscape associated with these molecules. Using the activation-relaxation technique and a simplified energy model, we present here a detailed analysis of the energy landscape of 16-residue peptide that folds into a beta-hairpin. Our results support the concept of an energy landscape with an effective topology consistent with a scale-free network.

摘要

蛋白质折叠问题的解决与对这些分子相关的构型能量或自由能景观的详细理解的发展紧密相连。利用活化-松弛技术和简化的能量模型，我们在此对折叠成β-发夹结构的16残基肽的能量景观进行了详细分析。我们的结果支持了具有与无标度网络一致的有效拓扑结构的能量景观概念。