Vibrational energy relaxation in proteins

被引：109

作者：

Fujisaki, H ^{[1
]}

Straub, JE ^{[1
]}

机构：

[1] Boston Univ, Dept Chem, Boston, MA 02215 USA

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 2005年 / 102卷 / 19期

关键词：

D O I：

10.1073/pnas.0409083102

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

An overview of theories related to vibrational energy relaxation (VER) in proteins is presented. VER of a selected mode in cytochrome c is studied by using two theoretical approaches. One approach is the equilibrium simulation approach with quantum correction factors, and the other is the reduced model approach, which describes the protein as an ensemble of normal modes interacting through nonlinear coupling elements. Both methods result in similar estimates of the VER time (subpicoseconds) for a CD stretching mode in the protein at room temperature. The theoretical predictions are in accord with previous experimental data. A perspective on directions for the detailed study of time scales and mechanisms of VER in proteins is presented.

引用

收藏

页码：6726 / 6731

页数：6

相关论文

共 72 条

[1] QUANTUM AND CLASSICAL RELAXATION RATES FROM CLASSICAL SIMULATIONS [J].

BADER, JS ;

BERNE, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (11) :8359-8366

[2] The energy relaxation of a nonlinear oscillator coupled to a linear bath [J].

Bader, JS ;

Berne, BJ ;

Pollak, E ;

Hanggi, P .

JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (03) :1111-1119

[3] CLASSICAL AND MODERN METHODS IN REACTION-RATE THEORY [J].

BERNE, BJ ;

BORKOVEC, M ;

STRAUB, JE .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (13) :3711-3725

[4] CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].

BROOKS, BR ;

BRUCCOLERI, RE ;

OLAFSON, BD ;

STATES, DJ ;

SWAMINATHAN, S ;

KARPLUS, M .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217

[5] Simulating vibrational energy flow in proteins: Relaxation rate and mechanism for heme cooling in cytochrome c [J].

Bu, LT ;

Straub, JE .

JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (44) :12339-12345

[6] Vibrational energy relaxation of "tailored" hemes in myoglobin following ligand photolysis supports energy funneling mechanism of heme "cooling" [J].

Bu, LT ;

Straub, JE .

JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (38) :10634-10639

[7] Vibrational frequency shifts and relaxation rates for a selected vibrational mode in cytochrome c [J].

Bu, LT ;

Straub, JE .

BIOPHYSICAL JOURNAL, 2003, 85 (03) :1429-1439

[8] A THEORY FOR TIME-CORRELATION FUNCTIONS IN LIQUIDS [J].

CAO, JS ;

VOTH, GA .

JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (10) :4211-4220

[9] Protein dynamics and cytochrome c:: Correlations between ligand vibrations and redox activity [J].

Chin, JK ;

Jimenez, R ;

Romesberg, FE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (09) :1846-1847

[10] Direct observation of protein vibrations by selective incorporation of spectroscopically observable carbon-deuterium bonds in cytochrome c [J].

Chin, JK ;

Jimenez, R ;

Romesberg, FE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (10) :2426-2427

← 1 2 3 4 5 6 7 8 →