Vibrational energy relaxation in proteins

Hiroshi Fujisaki; John E. Straub

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Vibrational energy relaxation in proteins

机译：蛋白质中的振动能量松弛

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An overview of theories related to vibrational energy relaxation (VER) in proteins is presented. VER of a selected mode in cyto-chrome 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.

机译：介绍了与蛋白质中的振动能弛豫（VER）相关的理论概述。利用两种理论方法研究了细胞色素c中选定模式的VER。一种方法是带有量子校正因子的平衡模拟方法，另一种是简化模型方法，该方法将蛋白质描述为通过非线性耦合元件相互作用的正常模式的集合。两种方法都可以在室温下对蛋白质中CD拉伸模式的VER时间（亚皮秒）进行类似的估算。理论预测与先前的实验数据一致。提出了详细研究蛋白质中VER的时间尺度和机理的方向的观点。

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《Proceedings of the National Academy of Sciences of the United States of America》 |2005年第19期|p.6726-6731|共6页
作者
Hiroshi Fujisaki; John E. Straub;
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作者单位

Department of Chemistry, Boston University, 590 Commonwealth Avenue, Boston, MA 02215;

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收录信息美国《科学引文索引》(SCI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
原文格式 PDF
正文语种 eng
中图分类自然科学总论;
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1. Vibrational Energy Relaxation of Isotopically Labeled Amide I Modes in Cytochrome c:Theoretical Investigation of Vibrational Energy Relaxation Rates and Pathways [J] . Hiroshi Fujisaki, John E.Straub The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2007,第41期

机译：细胞色素c中同位素标记的酰胺I模式的振动能弛豫：振动能弛豫率和途径的理论研究
2. Molecular dynamics simulation of vibrational energy relaxation of highly excited molecules in fluids. III. Equilibrium simulations of vibrational energy relaxation of azulene in carbon dioxide [J] . C. Heidelbach, V. S. Vikhrenko, D. Schwarzer, The Journal of Chemical Physics . 1999,第17期

机译：流体中高激发分子的振动能弛豫的分子动力学模拟。三，二氧化碳中z的振动能弛豫的平衡模拟。
3. Investigating vibrational energy relaxation and collective motions in proteins [J] . Hiroshi FUJISAKI, John E. STRAUB 物性研究 . 2006,第1期

机译：研究蛋白质中的振动能量弛豫和集体运动
4. Nuclear inelastic scattering of heme proteins: from iron ligand vibrations to low energy protein modes [C] . Beate Moeser, Adam Janoschka, Juliusz A. Wolny, International conference on the applications of the Mossbauer effect . 2012

机译：血红素蛋白的核弹弹性散射：从铁配体振动到低能蛋白质模式
5. VIBRATIONAL RELAXATION OF ANHARMONIC OSCILLATORS WITH VIBRATION-VIBRATIONAND VIBRATION-TRANSLATION ENERGY EXCHANGE. [D] . MAILLIE, FRANCIS HUGH. 1969

机译：振动振动和振动翻译能量交换的无振动振荡器的振动松弛。
6. Chemical Theory and Computation Special Feature: Vibrational energy relaxation in proteins [O] . Hiroshi Fujisaki, John E. Straub 2005

机译：化学理论与计算专题：蛋白质中的振动能量弛豫
7. Molecular dynamics simulation of vibrational energy relaxation of highly excited molecules in fluids. III. Equilibrium simulations of vibrational energy relaxation of azulene in carbon dioxide [O] . C. Heidelbach, V. S. Vikhrenko, D. Schwarzer, 1999

机译：液体高兴奋剂振动能量松弛的分子动力学模拟。 III。二氧化碳中氮素振动能量松弛的均衡模拟

Vibrational energy relaxation in proteins

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