Barrier trees of degenerate landscapes

被引：113

作者：

Flamm, C

Hofacker, IL

Stadler, PF

Wolfinger, MT

机构：

[1] Univ Vienna, Inst Theoret Chem & Mol Struct Biol, A-1090 Vienna, Austria

[2] Santa Fe Inst, Santa Fe, NM 87501 USA

[3] ZIF, Bielefeld, Germany

来源：

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS | 2002年 / 216卷 / 02期

关键词：

fitness landscape; potential energy surface; energy barrier; saddle points; degenerate states;

D O I：

10.1524/zpch.2002.216.2.155

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The heights of energy barriers separating two (macro-)states are useful for estimating transition frequencies. In non-degenerate landscapes the decomposition of a landscape into basins surrounding local minima connected by saddle points is straightforward and yields a useful definition of macro-states. In this work we develop a rigorous concept of barrier trees for degenerate landscapes. We present a program that efficiently computes such barrier trees, and apply it to two well known examples of landscapes.

引用

页码：155 / 173

页数：19

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