Protein design is NP-hard

被引:179
作者
Pierce, NA [1 ]
Winfree, E [1 ]
机构
[1] CALTECH, Pasadena, CA 91125 USA
来源
PROTEIN ENGINEERING | 2002年 / 15卷 / 10期
关键词
complexity; design; NP-complete; NP-hard; proteins;
D O I
10.1093/protein/15.10.779
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Biologists working in the area of computational protein design have never doubted the seriousness of the algorithmic challenges that face them in attempting in silico sequence selection. It turns out that in the language of the computer science community, this discrete optimization problem is NP-hard. The purpose of this paper is to explain the context of this observation, to provide a simple illustrative proof and to discuss the implications for future progress on algorithms for computational protein design.
引用
收藏
页码:779 / 782
页数:4
相关论文
共 38 条
[1]  
[Anonymous], 1979, Computers and Intractablity: A Guide to the Theoryof NP-Completeness
[2]   Polynomial time approximation schemes for Euclidean traveling salesman and other geometric problems [J].
Arora, S .
JOURNAL OF THE ACM, 1998, 45 (05) :753-782
[3]  
Cook S.A., 1971, P 3 ANN ACM S THEOR, P151, DOI DOI 10.1145/800157.805047
[4]   Protein design automation [J].
Dahiyat, BI ;
Mayo, SL .
PROTEIN SCIENCE, 1996, 5 (05) :895-903
[5]   De novo protein design: Fully automated sequence selection [J].
Dahiyat, BI ;
Mayo, SL .
SCIENCE, 1997, 278 (5335) :82-87
[6]   Computer search algorithms in protein modification and design [J].
Desjarlais, JR ;
Clarke, ND .
CURRENT OPINION IN STRUCTURAL BIOLOGY, 1998, 8 (04) :471-475
[7]   DE-NOVO DESIGN OF THE HYDROPHOBIC CORES OF PROTEINS [J].
DESJARLAIS, JR ;
HANDEL, TM .
PROTEIN SCIENCE, 1995, 4 (10) :2006-2018
[8]   THE DEAD-END ELIMINATION THEOREM AND ITS USE IN PROTEIN SIDE-CHAIN POSITIONING [J].
DESMET, J ;
DEMAEYER, M ;
HAZES, B ;
LASTERS, I .
NATURE, 1992, 356 (6369) :539-542
[9]   BACKBONE-DEPENDENT ROTAMER LIBRARY FOR PROTEINS - APPLICATION TO SIDE-CHAIN PREDICTION [J].
DUNBRACK, RL ;
KARPLUS, M .
JOURNAL OF MOLECULAR BIOLOGY, 1993, 230 (02) :543-574
[10]   EFFICIENT ROTAMER ELIMINATION APPLIED TO PROTEIN SIDE-CHAINS AND RELATED SPIN-GLASSES [J].
GOLDSTEIN, RF .
BIOPHYSICAL JOURNAL, 1994, 66 (05) :1335-1340