NOVEL-APPROACH FOR COMPUTING THE GLOBAL MINIMUM OF PROTEINS .2. ONE-DIMENSIONAL TEST CASES

被引：12

作者：

SYLVAIN, M ^{[1
]}

SOMORJAI, RL ^{[1
]}

机构：

[1] NATL RES COUNCIL CANADA,INST BIOL SCI,OTTAWA K1A 0R6,ONTARIO,CANADA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1991年 / 95卷 / 10期

关键词：

D O I：

10.1021/j100163a046

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 probabilistic quasi-quantal (QQ) method, introduced in the preceding article, was applied to one-dimesional examples. There were devised both to check the validity of the general concepts and to test approximation strategies that will be applicable to the many-variable case. The results confirm the claims of tunnelling through barriers, a fast QQ analogue of simulated annealing, and capability of locating regions of "free" energy minima. The QQ results are systematically improvable. One such strategy combines the fast simulated annealing with a procedure for iteratively improving initially poor trial solutions.

引用

页码：4147 / 4152

页数：6

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