OPTIMIZATION METHODS FOR COMPUTING GLOBAL MINIMA OF NONCONVEX POTENTIAL-ENERGY FUNCTIONS

被引:55
作者
PARDALOS, PM
SHALLOWAY, D
XUE, GL
机构
[1] UNIV FLORIDA,DEPT IND & SYST ENGN,GAINESVILLE,FL 32611
[2] CORNELL UNIV,BIOCHEM MOLEC & CELL BIOL SECT,ITHACA,NY 14853
[3] UNIV VERMONT,DEPT COMP SCI & ELECT ENGN,BURLINGTON,VT 05405
[4] UNIV MINNESOTA,ARMY HIGH PERFORMANCE COMP RES CTR,MINNEAPOLIS,MN 55415
关键词
MOLECULAR CONFORMATION; PROTEIN FOLDING; NONCONVEX POTENTIAL FUNCTIONS; GLOBAL OPTIMIZATION; SIMULATED ANNEALING; PARALLEL ALGORITHMS;
D O I
10.1007/BF01096719
中图分类号
C93 [管理学]; O22 [运筹学];
学科分类号
070105 ; 12 ; 1201 ; 1202 ; 120202 ;
摘要
The minimization of potential energy functions plays an important role in the determination of ground states or stable states of certain classes of molecular clusters and proteins. In this paper we introduce some of the most commonly used potential energy functions and discuss different optimization methods used in the minimization of nonconvex potential energy functions. A very complete bibliography is also given.
引用
收藏
页码:117 / 133
页数:17
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