A molecular dynamics simulation study of human alpha-fetoprotein-derived peptide and its analogues. Influence of dielectric constant

被引：0

作者：

Moldogazieva, N. T.

Shaitan, K. V.

Tereshkina, K. B.

Antonov, M. Yu.

Terentiev, A. A.

机构：

[1] Russian State Med Univ, Dept Biochem, Moscow 117997, Russia

[2] Moscow MV Lomonosov State Univ, Dept Bioengn, Moscow 119992, Russia

来源：

BIOFIZIKA | 2007年 / 52卷 / 04期

关键词：

molecular dynamics; alpha-fetoprotein; peptides; analogues; dielectric constant;

D O I：

暂无

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

A comparative study of the conformation dynamics of a series of heptapeptides: the human alpha-fetoprotein fragment LDSYQCT and its seven analogues has been conducted. The effect of the dielectric constant of medium on the dynamics of heptapeptide conformation is considered. It is shown that electrostatic interactions have a marked effect on several accessible conformations and the dynamics of the behavior of amino acid residues.

引用

页码：611 / 624

页数：14

共 27 条

[1]

Abelev G I, 1971, Adv Cancer Res, V14, P295, DOI 10.1016/S0065-230X(08)60523-0

[2] THE MOLTEN GLOBULE STATE IS INVOLVED IN THE TRANSLOCATION OF PROTEINS ACROSS MEMBRANES [J].

BYCHKOVA, VE ;

PAIN, RH ;

PTITSYN, OB .

FEBS LETTERS, 1988, 238 (02) :231-234

[3] The Amber biomolecular simulation programs [J].

Case, DA ;

Cheatham, TE ;

Darden, T ;

Gohlke, H ;

Luo, R ;

Merz, KM ;

Onufriev, A ;

Simmerling, C ;

Wang, B ;

Woods, RJ .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2005, 26 (16) :1668-1688

[4]

CHENG Q, IN PRESS BIOPOLIMERS

[5]

CHOTHIA C, 1975, NATURE, V254, P344

[6] A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES [J].

CORNELL, WD ;

CIEPLAK, P ;

BAYLY, CI ;

GOULD, IR ;

MERZ, KM ;

FERGUSON, DM ;

SPELLMEYER, DC ;

FOX, T ;

CALDWELL, JW ;

KOLLMAN, PA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (19) :5179-5197

[7]

ENGLER DA, 1992, J BIOL CHEM, V267, P2271

[8] Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RaIGDS complexes [J].

Gohlke, H ;

Kiel, C ;

Case, DA .

JOURNAL OF MOLECULAR BIOLOGY, 2003, 330 (04) :891-913

[9]

Golo VL, 2002, BIOFIZIKA+, V47, P611

[10]

Kazimirski A. N., 2000, Tumor Biology, V21, P37

← 1 2 3 →