APPLICATION OF GENETIC ALGORITHMS IN MOLECULAR MODELING

被引：54

作者：

BRODMEIER, T ^{[1
]}

PRETSCH, E ^{[1
]}

机构：

[1] ETH ZURICH,DEPT ORGAN CHEM,CH-8092 ZURICH,SWITZERLAND

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1994年 / 15卷 / 06期

关键词：

D O I：

10.1002/jcc.540150604

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A genetic algorithm has been developed for molecular mechanics calculations. It has been proved to be a robust and efficient structure optimization technique. Because it uses randomly generated starting structures and stochastic operators, the resulting structures are not subjected to the chemist's bias. (C) 1994 by John Wiley & Sons, Inc.

引用

页码：588 / 595

页数：8

共 22 条

[1]

ALLINGER NL, QCPE501 IND U QUANT

[2] COMBINED APPLICATION OF PAIR POTENTIALS AND THE MM2 FORCE-FIELD FOR THE MODELING OF IONOPHORES [J].

BADERTSCHER, M ;

MUSSO, S ;

WELTI, M ;

PRETSCH, E ;

MARUIZUMI, T ;

HA, TK .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (07) :819-828

[3]

BURKERT U, 1982, MOL MECHANICS

[4]

CRIPPEN GM, 1988, DISTANCE GEOMETRY CO

[5] POTENTIAL OF GENETIC ALGORITHMS IN PROTEIN FOLDING AND PROTEIN ENGINEERING SIMULATIONS [J].

DANDEKAR, T ;

ARGOS, P .

PROTEIN ENGINEERING, 1992, 5 (07) :637-645

[6]

Davis L. E.., 1991, HDB GENETIC ALGORITH

[7] APPLICATION OF GENETIC ALGORITHMS IN THE FIELD OF CONSTITUTIONAL SIMILARITY [J].

FONTAIN, E .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1992, 32 (06) :748-752

[8] GENETIC ALGORITHMS IN CHEMISTRY [J].

HIBBERT, DB .

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1993, 19 (03) :277-293

[9]

HOLLAND JH, 1975, ADAPTATION NATURAL A

[10] TEACHING POLYMERS TO FOLD [J].

JUDSON, RS .

JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (25) :10102-10104

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