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Kinetic isotope effect for ground state proton transfer in the green fluorescent protein: a quantum-kinetic model
被引:41
作者
:
Zhang, Hong
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Computat Mol Sci, Brisbane, Qld 4072, Australia
Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Computat Mol Sci, Brisbane, Qld 4072, Australia
Zhang, Hong
[
1
]
Wang, Sufan
论文数:
0
引用数:
0
h-index:
0
机构:
Anhui Normal Univ, Coll Chem & Mat Sci, Wuhu 241000, Peoples R China
Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Computat Mol Sci, Brisbane, Qld 4072, Australia
Wang, Sufan
[
2
]
Sun, Qiao
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Computat Mol Sci, Brisbane, Qld 4072, Australia
Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Computat Mol Sci, Brisbane, Qld 4072, Australia
Sun, Qiao
[
1
]
Smith, Sean C.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Computat Mol Sci, Brisbane, Qld 4072, Australia
Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Computat Mol Sci, Brisbane, Qld 4072, Australia
Smith, Sean C.
[
1
]
机构
:
[1]
Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Computat Mol Sci, Brisbane, Qld 4072, Australia
[2]
Anhui Normal Univ, Coll Chem & Mat Sci, Wuhu 241000, Peoples R China
来源
:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
2009年
/ 11卷
/ 38期
基金
:
澳大利亚研究理事会;
关键词
:
DYNAMICS;
D O I
:
10.1039/b912507h
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
:
The calculated quantum mechanical kinetic isotope effects (KIE) agree nearly quantitatively with experimental KIE at room temperature.
引用
收藏
页码:8422 / 8424
页数:3
相关论文
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THE GROTTHUSS MECHANISM
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HEBREW UNIV JERUSALEM,FRITZ HABER RES CTR,IL-91904 JERUSALEM,ISRAEL
HEBREW UNIV JERUSALEM,FRITZ HABER RES CTR,IL-91904 JERUSALEM,ISRAEL
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CHEMICAL PHYSICS LETTERS,
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[Anonymous], 2016, GAUSSIAN 16 REV B01
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THEORETICAL METHODS FOR ROVIBRATIONAL STATES OF FLOPPY MOLECULES
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BACIC, Z
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0
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0
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0
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UNIV CHICAGO, DEPT CHEM, CHICAGO, IL 60637 USA
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LIGHT, JC
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ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1989,
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A NOVEL DISCRETE VARIABLE REPRESENTATION FOR QUANTUM-MECHANICAL REACTIVE SCATTERING VIA THE S-MATRIX KOHN METHOD
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COLBERT, DT
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0
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UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
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UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
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JOURNAL OF CHEMICAL PHYSICS,
1992,
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The barrier for proton transport in aquaporins as a challenge for electrostatic models: The role of protein relaxation in mutational calculations
[J].
Kato, Mitsunori
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引用数:
0
h-index:
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Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Kato, Mitsunori
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Pisliakov, Andrei V.
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Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Pisliakov, Andrei V.
;
Warshel, Arieh
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0
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0
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0
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Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
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.
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Uncovering the hidden ground state of green fluorescent protein
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PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
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(52)
:17988
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[7]
KENNIS JTM, 2009, COMMUNICATION
[8]
Proton shuttle in green fluorescent protein studied by dynamic simulations
[J].
Lill, MA
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Max Planck Inst Biophys, D-60596 Frankfurt, Germany
Max Planck Inst Biophys, D-60596 Frankfurt, Germany
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Max Planck Inst Biophys, D-60596 Frankfurt, Germany
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PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
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:2778
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THE CUMULATIVE REACTION PROBABILITY AS EIGENVALUE PROBLEM
[J].
MANTHE, U
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LAWRENCE BERKELEY LAB, DIV CHEM SCI, BERKELEY, CA 94720 USA
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;
MILLER, WH
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LAWRENCE BERKELEY LAB, DIV CHEM SCI, BERKELEY, CA 94720 USA
LAWRENCE BERKELEY LAB, DIV CHEM SCI, BERKELEY, CA 94720 USA
MILLER, WH
.
JOURNAL OF CHEMICAL PHYSICS,
1993,
99
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:3411
-3419
[10]
Signaling states of rhodopsin -: Retinal provides a scaffold for activating proton transfer switches
[J].
Meyer, CK
论文数:
0
引用数:
0
h-index:
0
机构:
Humboldt Univ, Univ Klinikum Charite, Inst Med Phys & Biophys, D-10098 Berlin, Germany
Meyer, CK
;
Böhme, M
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h-index:
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Humboldt Univ, Univ Klinikum Charite, Inst Med Phys & Biophys, D-10098 Berlin, Germany
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;
Ockenfels, A
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h-index:
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;
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h-index:
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Humboldt Univ, Univ Klinikum Charite, Inst Med Phys & Biophys, D-10098 Berlin, Germany
Ernst, OP
.
JOURNAL OF BIOLOGICAL CHEMISTRY,
2000,
275
(26)
:19713
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←
1
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→
共 15 条
[1]
THE GROTTHUSS MECHANISM
[J].
AGMON, N
论文数:
0
引用数:
0
h-index:
0
机构:
HEBREW UNIV JERUSALEM,FRITZ HABER RES CTR,IL-91904 JERUSALEM,ISRAEL
HEBREW UNIV JERUSALEM,FRITZ HABER RES CTR,IL-91904 JERUSALEM,ISRAEL
AGMON, N
.
CHEMICAL PHYSICS LETTERS,
1995,
244
(5-6)
:456
-462
[2]
[Anonymous], 2016, GAUSSIAN 16 REV B01
[3]
THEORETICAL METHODS FOR ROVIBRATIONAL STATES OF FLOPPY MOLECULES
[J].
BACIC, Z
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO, DEPT CHEM, CHICAGO, IL 60637 USA
BACIC, Z
;
LIGHT, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO, DEPT CHEM, CHICAGO, IL 60637 USA
LIGHT, JC
.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1989,
40
:469
-498
[4]
A NOVEL DISCRETE VARIABLE REPRESENTATION FOR QUANTUM-MECHANICAL REACTIVE SCATTERING VIA THE S-MATRIX KOHN METHOD
[J].
COLBERT, DT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
COLBERT, DT
;
MILLER, WH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
MILLER, WH
.
JOURNAL OF CHEMICAL PHYSICS,
1992,
96
(03)
:1982
-1991
[5]
The barrier for proton transport in aquaporins as a challenge for electrostatic models: The role of protein relaxation in mutational calculations
[J].
Kato, Mitsunori
论文数:
0
引用数:
0
h-index:
0
机构:
Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Kato, Mitsunori
;
Pisliakov, Andrei V.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Pisliakov, Andrei V.
;
Warshel, Arieh
论文数:
0
引用数:
0
h-index:
0
机构:
Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Univ So Calif, Dept Chem, SGM 418, Los Angeles, CA 90089 USA
Warshel, Arieh
.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS,
2006,
64
(04)
:829
-844
[6]
Uncovering the hidden ground state of green fluorescent protein
[J].
Kennis, JTM
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Dept Biophys, Fac Sci, NL-1018 HV Amsterdam, Netherlands
Kennis, JTM
;
Larsen, DS
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Dept Biophys, Fac Sci, NL-1018 HV Amsterdam, Netherlands
Larsen, DS
;
van Stokkum, IHM
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Dept Biophys, Fac Sci, NL-1018 HV Amsterdam, Netherlands
van Stokkum, IHM
;
Vengris, M
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Dept Biophys, Fac Sci, NL-1018 HV Amsterdam, Netherlands
Vengris, M
;
van Thor, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Dept Biophys, Fac Sci, NL-1018 HV Amsterdam, Netherlands
van Thor, JJ
;
论文数:
引用数:
h-index:
机构:
van Grondelle, R
.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
2004,
101
(52)
:17988
-17993
[7]
KENNIS JTM, 2009, COMMUNICATION
[8]
Proton shuttle in green fluorescent protein studied by dynamic simulations
[J].
Lill, MA
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Biophys, D-60596 Frankfurt, Germany
Max Planck Inst Biophys, D-60596 Frankfurt, Germany
Lill, MA
;
Helms, V
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Biophys, D-60596 Frankfurt, Germany
Max Planck Inst Biophys, D-60596 Frankfurt, Germany
Helms, V
.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
2002,
99
(05)
:2778
-2781
[9]
THE CUMULATIVE REACTION PROBABILITY AS EIGENVALUE PROBLEM
[J].
MANTHE, U
论文数:
0
引用数:
0
h-index:
0
机构:
LAWRENCE BERKELEY LAB, DIV CHEM SCI, BERKELEY, CA 94720 USA
LAWRENCE BERKELEY LAB, DIV CHEM SCI, BERKELEY, CA 94720 USA
MANTHE, U
;
MILLER, WH
论文数:
0
引用数:
0
h-index:
0
机构:
LAWRENCE BERKELEY LAB, DIV CHEM SCI, BERKELEY, CA 94720 USA
LAWRENCE BERKELEY LAB, DIV CHEM SCI, BERKELEY, CA 94720 USA
MILLER, WH
.
JOURNAL OF CHEMICAL PHYSICS,
1993,
99
(05)
:3411
-3419
[10]
Signaling states of rhodopsin -: Retinal provides a scaffold for activating proton transfer switches
[J].
Meyer, CK
论文数:
0
引用数:
0
h-index:
0
机构:
Humboldt Univ, Univ Klinikum Charite, Inst Med Phys & Biophys, D-10098 Berlin, Germany
Meyer, CK
;
Böhme, M
论文数:
0
引用数:
0
h-index:
0
机构:
Humboldt Univ, Univ Klinikum Charite, Inst Med Phys & Biophys, D-10098 Berlin, Germany
Böhme, M
;
Ockenfels, A
论文数:
0
引用数:
0
h-index:
0
机构:
Humboldt Univ, Univ Klinikum Charite, Inst Med Phys & Biophys, D-10098 Berlin, Germany
Ockenfels, A
;
Gärtner, W
论文数:
0
引用数:
0
h-index:
0
机构:
Humboldt Univ, Univ Klinikum Charite, Inst Med Phys & Biophys, D-10098 Berlin, Germany
Gärtner, W
;
Hofmann, KP
论文数:
0
引用数:
0
h-index:
0
机构:
Humboldt Univ, Univ Klinikum Charite, Inst Med Phys & Biophys, D-10098 Berlin, Germany
Hofmann, KP
;
Ernst, OP
论文数:
0
引用数:
0
h-index:
0
机构:
Humboldt Univ, Univ Klinikum Charite, Inst Med Phys & Biophys, D-10098 Berlin, Germany
Ernst, OP
.
JOURNAL OF BIOLOGICAL CHEMISTRY,
2000,
275
(26)
:19713
-19718
←
1
2
→