Electrostatics in computational protein design

被引:98
作者
Vizcarra, CL
Mayo, SL [1 ]
机构
[1] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA
[2] CALTECH, Div Biol, Pasadena, CA 91125 USA
[3] CALTECH, Howard Hughes Med Inst, Pasadena, CA 91125 USA
基金
美国国家科学基金会;
关键词
D O I
10.1016/j.cbpa.2005.10.014
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
Catalytic activity and protein-protein recognition have proven to be significant challenges for computational protein design. Electrostatic interactions are crucial for these and other protein functions, and therefore accurate modeling of electrostatics is necessary for successfully advancing protein design into the realm of protein function. This review focuses on recent progress in modeling electrostatic interactions in computational protein design, with particular emphasis on continuum models.
引用
收藏
页码:622 / 626
页数:5
相关论文
共 60 条
[1]   Generalized born models of macromolecular solvation effects [J].
Bashford, D ;
Case, DA .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2000, 51 :129-152
[2]   The development of new biotechnologies using metalloprotein design [J].
Benson, DE ;
Wisz, MS ;
Hellinga, HW .
CURRENT OPINION IN BIOTECHNOLOGY, 1998, 9 (04) :370-376
[3]   Prudent modeling of core polar residues in computational protein design [J].
Bolon, DN ;
Marcus, JS ;
Ross, SA ;
Mayo, SL .
JOURNAL OF MOLECULAR BIOLOGY, 2003, 329 (03) :611-622
[4]   De novo design of biocatalysts [J].
Bolon, DN ;
Voigt, CA ;
Mayo, SL .
CURRENT OPINION IN CHEMICAL BIOLOGY, 2002, 6 (02) :125-129
[5]   Polar residues in the protein core of Escherichia coli thioredoxin are important for fold specificity [J].
Bolon, DN ;
Mayo, SL .
BIOCHEMISTRY, 2001, 40 (34) :10047-10053
[6]   Protein design automation [J].
Dahiyat, BI ;
Mayo, SL .
PROTEIN SCIENCE, 1996, 5 (05) :895-903
[7]   Automated design of the surface positions of protein helices [J].
Dahiyat, BI ;
Gordon, DB ;
Mayo, SL .
PROTEIN SCIENCE, 1997, 6 (06) :1333-1337
[8]   De novo protein design: Fully automated sequence selection [J].
Dahiyat, BI ;
Mayo, SL .
SCIENCE, 1997, 278 (5335) :82-87
[9]   Computer search algorithms in protein modification and design [J].
Desjarlais, JR ;
Clarke, ND .
CURRENT OPINION IN STRUCTURAL BIOLOGY, 1998, 8 (04) :471-475
[10]   Development of a generalized born model parametrization for proteins and nucleic acids [J].
Dominy, BN ;
Brooks, CL .
JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (18) :3765-3773