Spectral Signatures of the Pentagonal Water Cluster in Bacteriorhodopsin

被引：31

作者：

Baer, Marcel ^{[1
]}

Mathias, Gerald ^{[1
]}

Kuo, I-Feng W. ^{[2
]}

Tobias, Douglas J. ^{[3
]}

Mundy, Christopher J. ^{[4
]}

Marx, Dominik ^{[1
]}

机构：

[1] Ruhr Univ Bochum, Lehrstuhl Theoret Chem, D-44780 Bochum, Germany

[2] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA

[3] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

[4] Pacific NW Natl Lab, Richland, WA 99352 USA

来源：

CHEMPHYSCHEM | 2008年 / 9卷 / 18期

基金：

美国国家科学基金会;

关键词：

bacteriorhodopsin; hydrogen bonds; molecular dynamics; protonation; vibrational spectroscopy;

D O I：

10.1002/cphc.200800473

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

[No abstract available]

引用

页码：2703 / 2707

页数：5

共 37 条

[1] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].

BECKE, AD .

PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100

[2] Potential Proton-Release Channels in Bacteriorhodopsin [J].

Chaumont, Alain ;

Baer, Marcel ;

Mathias, Gerald ;

Marx, Dominik .

CHEMPHYSCHEM, 2008, 9 (18) :2751-2758

[3] Et tu, Grotthuss! and other unfinished stories [J].

Cukierman, Samuel .

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS, 2006, 1757 (08) :876-885

[4] Voltage-Gated proton channels and other proton transfer pathways (vol 83, pg 475, 2003) [J].

DeCoursey, TE .

PHYSIOLOGICAL REVIEWS, 2004, 84 (04) :1479-1479

[5] Functional waters in intraprotein proton transfer monitored by FTIR difference spectroscopy [J].

Garczarek, F ;

Gerwert, K .

NATURE, 2006, 439 (7072) :109-112

[6] Proton binding within a membrane protein by a protonated water cluster [J].

Garczarek, F ;

Brown, LS ;

Lanyi, JK ;

Gerwert, K .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005, 102 (10) :3633-3638

[7] Separable dual-space Gaussian pseudopotentials [J].

Goedecker, S ;

Teter, M ;

Hutter, J .

PHYSICAL REVIEW B, 1996, 54 (03) :1703-1710

[8] Relativistic separable dual-space Gaussian pseudopotentials from H to Rn [J].

Hartwigsen, C ;

Goedecker, S ;

Hutter, J .

PHYSICAL REVIEW B, 1998, 58 (07) :3641-3662

[9] Closing in on bacteriorhodopsin: Progress in understanding the molecule [J].

Haupts, U ;

Tittor, J ;

Oesterhelt, D .

ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE, 1999, 28 :367-399

[10] Proton transfer in bacteriorhodopsin: Structure, excitation, IR spectra, and potential energy surface analyses by an ab initio QM/MM method [J].

Hayashi, S ;

Ohmine, I .

JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (45) :10678-10691

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