递归量化分析作为分子动力学模拟表征的工具
生物物理
2012-08-27 v2 q-bio
摘要
本文采用递归量化分析对 Lennard-Jones 流体以及在水环境中模拟的链球菌蛋白 G 的 B1 免疫球蛋白 G 结合域（B1-IgG）的轨迹进行分析；该方法不依赖于平稳性约束，且能够检测瞬态以及线性和非线性状态变化，因而值得关注。结果表明该技术对相位敏感动力学的判别具有敏感性。文中亦讨论了递归度量的物理解释。
引用
@article{arxiv.physics/9806006,
title = {Recurrence quantification analysis as a tool for the characterization of molecular dynamics simulations},
author = {Cesare Manetti and Marc-Antoine Ceruso and Alessandro Giuliani and Charles L. Webber, and Joseph P. Zbilut},
journal= {arXiv preprint arXiv:physics/9806006},
year = {2012}
}
备注
7 pages, 8 figures, revtex; revised for review for Phys. Rev. E (clarifications and expansion of discussion)-- addition of the 8 postscript figures previously omitted, but unchanged from version1