Exact enumeration of Hamiltonian walks on the 4 × 4 × 4 cube and applications to protein folding

Schram R.D.; Schiessel H.

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Exact enumeration of Hamiltonian walks on the 4 × 4 × 4 cube and applications to protein folding

机译：在4×4×4立方体上哈密顿步的精确枚举及其在蛋白质折叠中的应用

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Hamiltonian walks on lattices are model systems for compact polymers such as proteins. Here we enumerate exactly the number of Hamiltonian walks on the 4 × 4 × 4 cube and give estimates up to the 7 × 7 × 7 cube through Monte Carlo methods. We find that the number of configurations grows faster with chain length than previously anticipated. Finally, we discuss uniqueness of ground states in the HP model for protein folding.

机译：网格上的哈密顿量行走是用于紧密聚合物（例如蛋白质）的模型系统。在这里，我们精确地枚举了4×4×4立方体上的哈密顿游动数，并通过蒙特卡洛方法给出了7×7×7立方体的估计。我们发现，随着链长的增加，配置数量的增长比以前预期的要快。最后，我们讨论了蛋白质折叠的HP模型中基态的唯一性。

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《Journal of physics, A. Mathematical and theoretical》 |2013年第48期|共14页
作者
Schram R.D.; Schiessel H.;
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正文语种 eng
中图分类物理学;
关键词
Exact; configurations; HP;

机译：精确配置;

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专利

1. Exact enumeration of Hamiltonian walks on the 4 x 4 x 4 cube and applications to protein folding (vol 46, 485001, 2013) [J] . Schram Raoul D., Schiessel Helmut Journal of physics, A. Mathematical and theoretical . 2016,第36期

机译：精确枚举4 x 4 x 4立方体上的哈密顿步态及其在蛋白质折叠中的应用（第46卷，485001，2013）
2. Exact enumeration of Hamiltonian circuits, walks and chains in two and three dimensions [J] . Jacobsen JL Journal of physics, A. Mathematical and theoretical . 2007,第49期

机译：二维和三维哈密顿回路，步道和链条的精确枚举
3. Study on collapse and folding transitions of a lattice protein using exact enumeration [J] . Jae Hwan Lee, Seung-Yeon Kim, Julian Lee AIP Advances . 2015,第12期

机译：使用精确枚举研究晶格蛋白的折叠和折叠过渡
4. Exact enumeration of self-avoiding walks on percolation clusters [C] . Niklas Fricke, Wolfhard Janke Workshop on Computer Simulation Studies in Condensed Matter Physics . 2014

机译：在渗透集群上确切的自避免行走
5. Understanding Protein Folding Through Computational Design and Experimental Validation of First Ever De Novo All Beta-Sheet Proteins for Plant Biotechnology Applications [D] . Chidyausiku, Tamuka Martin. 2019

机译：通过计算设计和对第一个从头开始使用的所有Beta-Sheet蛋白在植物生物技术应用中的实验验证来了解蛋白质折叠
6. A Hamiltonian Replica Exchange Molecular Dynamics (MD) Method for the Study of Folding Based on the Analysis of the Stabilization Determinants of Proteins [O] . Massimiliano Meli, Giorgio Colombo 2013

机译：基于蛋白质稳定决定因素分析的哈密顿量交换分子动力学（MD）方法用于折叠研究
7. Exact enumeration of Hamiltonian circuits, walks, and chains in two and three dimensions [O] . Jacobsen, Jesper, 2007

机译：二维和三维哈密顿回路，步道和链条的精确枚举

Exact enumeration of Hamiltonian walks on the 4 × 4 × 4 cube and applications to protein folding

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