Simulated annealing with Tsallis weights - A numerical comparison

被引：26

作者：

Hansmann, UHE

机构：

[1] Department of Theoretical Studies, Institute for Molecular Science, Okazaki

来源：

PHYSICA A | 1997年 / 242卷 / 1-2期

关键词：

simulated annealing; Tsallis statistics; protein folding;

D O I：

10.1016/S0378-4371(97)00203-3

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We discuss the use of Tsallis generalized mechanics in simulated annealing algorithms. For a small peptide, it is shown that older implementations are not more effective than regular simulated annealing in finding ground-state configurations. We propose a new implementation which leads to an improvement over regular simulated annealing.

引用

页码：250 / 257

页数：8

共 16 条

[1]

ANRICIOAEI I, 1996, PHYS REV E, V53, pR3055

[2] CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].

BROOKS, BR ;

BRUCCOLERI, RE ;

OLAFSON, BD ;

STATES, DJ ;

SWAMINATHAN, S ;

KARPLUS, M .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217

[3] STOCHASTIC RELAXATION, GIBBS DISTRIBUTIONS, AND THE BAYESIAN RESTORATION OF IMAGES [J].

GEMAN, S ;

GEMAN, D .

IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE, 1984, 6 (06) :721-741

[4]

Hansmann UHE, 1997, J COMPUT CHEM, V18, P920, DOI 10.1002/(SICI)1096-987X(199705)18:7<920::AID-JCC5>3.0.CO

[5]

2-T

[6] COMPARATIVE-STUDY OF MULTICANONICAL AND SIMULATED ANNEALING ALGORITHMS IN THE PROTEIN-FOLDING PROBLEM [J].

HANSMANN, UHE ;

OKAMOTO, Y .

PHYSICA A, 1994, 212 (3-4) :415-437

[7] SAMPLING GROUND-STATE CONFIGURATIONS OF A PEPTIDE BY MULTICANONICAL ANNEALING [J].

HANSMANN, UHE ;

OKAMOTO, Y .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1994, 63 (11) :3945-3949

[8] PREDICTION OF ALPHA-HELIX FOLDING OF ISOLATED C-PEPTIDE OF RIBONUCLEASE A BY MONTE-CARLO SIMULATED ANNEALING [J].

KAWAI, H ;

OKAMOTO, Y ;

FUKUGITA, M ;

NAKAZAWA, T ;

KIKUCHI, T .

CHEMISTRY LETTERS, 1991, (02) :213-216

[9] OPTIMIZATION BY SIMULATED ANNEALING [J].

KIRKPATRICK, S ;

GELATT, CD ;

VECCHI, MP .

SCIENCE, 1983, 220 (4598) :671-680

[10] ALPHA-HELIX FOLDING BY MONTE-CARLO SIMULATED ANNEALING IN ISOLATED C-PEPTIDE OF RIBONUCLEASE-A [J].

OKAMOTO, Y ;

FUKUGITA, M ;

NAKAZAWA, T ;

KAWAI, H .

PROTEIN ENGINEERING, 1991, 4 (06) :639-647

← 1 2 →