Literature DB >> 15767588

Vibrational energy relaxation in proteins.

Hiroshi Fujisaki1, John E Straub.   

Abstract

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.

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Year:  2005        PMID: 15767588      PMCID: PMC1100765          DOI: 10.1073/pnas.0409083102

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  29 in total

1.  Conformational dynamics of cytochrome c: correlation to hydrogen exchange.

Authors:  A E García; G Hummer
Journal:  Proteins       Date:  1999-08-01

2.  Role of protein-water hydrogen bond dynamics in the protein dynamical transition.

Authors:  M Tarek; D J Tobias
Journal:  Phys Rev Lett       Date:  2002-03-14       Impact factor: 9.161

3.  Quantum Molecular Dynamics of Ultrafast Processes in Large Polyatomic Systems.

Authors:  Pavel Jungwirth; R. Benny Gerber
Journal:  Chem Rev       Date:  1999-06-09       Impact factor: 60.622

4.  Slaving: solvent fluctuations dominate protein dynamics and functions.

Authors:  P W Fenimore; H Frauenfelder; B H McMahon; F G Parak
Journal:  Proc Natl Acad Sci U S A       Date:  2002-11-20       Impact factor: 11.205

5.  Structural and dynamical analysis of the hydration of the Alzheimer's beta-amyloid peptide.

Authors:  Francesca Massi; John E Straub
Journal:  J Comput Chem       Date:  2003-01-30       Impact factor: 3.376

6.  Vibrational energy flow and chemical reactions.

Authors:  M Gruebele; P G Wolynes
Journal:  Acc Chem Res       Date:  2004-04       Impact factor: 22.384

7.  Time-dependent quantum methods for large systems.

Authors:  N Makri
Journal:  Annu Rev Phys Chem       Date:  1999       Impact factor: 12.703

8.  Molecular dynamics simulation of bacteriorhodopsin's photoisomerization using ab initio forces for the excited chromophore.

Authors:  Shigehiko Hayashi; Emad Tajkhorshid; Klaus Schulten
Journal:  Biophys J       Date:  2003-09       Impact factor: 4.033

9.  A study of vibrational relaxation of B-state carbon monoxide in the heme pocket of photolyzed carboxymyoglobin.

Authors:  D E Sagnella; J E Straub
Journal:  Biophys J       Date:  1999-07       Impact factor: 4.033

10.  Quantum dynamics in simple fluids.

Authors:  C P Lawrence; A Nakayama; N Makri; J L Skinner
Journal:  J Chem Phys       Date:  2004-04-08       Impact factor: 3.488

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  15 in total

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Authors:  Phuong H Nguyen; Roman D Gorbunov; Gerhard Stock
Journal:  Biophys J       Date:  2006-05-26       Impact factor: 4.033

2.  Energy transport in peptide helices.

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Journal:  Proc Natl Acad Sci U S A       Date:  2007-07-23       Impact factor: 11.205

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Journal:  J Mol Model       Date:  2008-03-06       Impact factor: 1.810

4.  Reaction mechanism and reaction coordinates from the viewpoint of energy flow.

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Journal:  J Chem Phys       Date:  2016-03-21       Impact factor: 3.488

5.  Anisotropic energy flow and allosteric ligand binding in albumin.

Authors:  Guifeng Li; Donny Magana; R Brian Dyer
Journal:  Nat Commun       Date:  2014       Impact factor: 14.919

6.  Ultrafast Structural Changes Decomposed from Serial Crystallographic Data.

Authors:  Zhong Ren
Journal:  J Phys Chem Lett       Date:  2019-11-07       Impact factor: 6.475

7.  Applications of 2D IR spectroscopy to peptides, proteins, and hydrogen-bond dynamics.

Authors:  Yung Sam Kim; Robin M Hochstrasser
Journal:  J Phys Chem B       Date:  2009-06-18       Impact factor: 2.991

8.  Kinetic Isotope Effect Provides Insight into the Vibrational Relaxation Mechanism of Aromatic Molecules: Application to Cyano-phenylalanine.

Authors:  Jeffrey M Rodgers; Wenkai Zhang; Christopher G Bazewicz; Jianxin Chen; Scott H Brewer; Feng Gai
Journal:  J Phys Chem Lett       Date:  2016-03-22       Impact factor: 6.475

9.  A relaxation-assisted 2D IR spectroscopy method.

Authors:  Dmitry V Kurochkin; Sri Ram G Naraharisetty; Igor V Rubtsov
Journal:  Proc Natl Acad Sci U S A       Date:  2007-06-08       Impact factor: 11.205

10.  Through bonds or contacts? Mapping protein vibrational energy transfer using non-canonical amino acids.

Authors:  Erhan Deniz; Luis Valiño-Borau; Jan G Löffler; Katharina B Eberl; Adnan Gulzar; Steffen Wolf; Patrick M Durkin; Robert Kaml; Nediljko Budisa; Gerhard Stock; Jens Bredenbeck
Journal:  Nat Commun       Date:  2021-06-02       Impact factor: 14.919

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