COMPARATIVE-STUDY OF MULTICANONICAL AND SIMULATED ANNEALING ALGORITHMS IN THE PROTEIN-FOLDING PROBLEM
COMPARATIVE-STUDY OF MULTICANONICAL AND SIMULATED ANNEALING ALGORITHMS IN THE PROTEIN-FOLDING PROBLEM
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DOI：
10.1016/0378-4371(94)90342-5
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发表时间：
1994-12-15
期刊：
影响因子：
3.3
通讯作者：
OKAMOTO, Y
中科院分区：
文献类型：
--
作者：
HANSMANN, UHE;OKAMOTO, Y
我们比较了几个变种最近提出的multicanonical方法与众所周知的模拟退火的有效性在搜索的能量全局最小的生物分子系统。 为此，我们详细研究了最简单的肽之一Met-脑啡肽。 我们发现，新方法不仅优于模拟退火在能量基态的搜索，但也提供了更多的有关系统的物理力学信息。
We compare a few variants of the recently proposed multicanonical method with the well known simulated annealing for the effectiveness in search of the energy global minimum of a biomolecular system. For this we study in detail Met-enkephalin, one of the simplest peptides. We show that the new method not only outperforms simulated annealing in the search of the energy groundstate but also provides more statistical-mechanical information about the system.