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Geometric dependence of 3hJ(31P-15N) and 2hJ(31P-1H) scalar couplings in protein-nucleotide complexes
被引:36
作者
:
Czernek, J
论文数:
0
引用数:
0
h-index:
0
机构:
Clark Univ, Gustaf H Carlson Sch Chem & Biochem, Worcester, MA 01610 USA
Clark Univ, Gustaf H Carlson Sch Chem & Biochem, Worcester, MA 01610 USA
Czernek, J
[
1
]
Brüschweiler, R
论文数:
0
引用数:
0
h-index:
0
机构:
Clark Univ, Gustaf H Carlson Sch Chem & Biochem, Worcester, MA 01610 USA
Clark Univ, Gustaf H Carlson Sch Chem & Biochem, Worcester, MA 01610 USA
Brüschweiler, R
[
1
]
机构
:
[1]
Clark Univ, Gustaf H Carlson Sch Chem & Biochem, Worcester, MA 01610 USA
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
2001年
/ 123卷
/ 44期
关键词
:
D O I
:
10.1021/ja011618r
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:11079 / 11080
页数:2
相关论文
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The chemical nature of hydrogen bonding in proteins via NMR:: J-couplings, chemical shifts, and AIM theory
[J].
Arnold, WD
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Arnold, WD
;
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Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Oldfield, E
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
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122
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:12835
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Computation of through-space 19F-19F scalar couplings via density functional theory
[J].
Arnold, WD
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Univ Illinois, Dept Chem, Urbana, IL 61801 USA
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Mao, JH
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Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Mao, JH
;
Sun, HH
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0
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0
h-index:
0
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Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Sun, HH
;
Oldfield, E
论文数:
0
引用数:
0
h-index:
0
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Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Oldfield, E
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
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122
(49)
:12164
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[3]
Bagno A, 2000, CHEM-EUR J, V6, P2925
[4]
A DFT study of the interresidue dependencies of scalar J-coupling and magnetic shielding in the hydrogen-bonding regions of a DNA tripler
[J].
Barfield, M
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Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
Barfield, M
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Dingley, AJ
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Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
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Feigon, J
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Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
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Grzesiek, S
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
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Nuclear scalar spin-spin couplings and geometries of hydrogen bonds
[J].
Benedict, H
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Free Univ Berlin, Inst Chem, D-14195 Berlin, Germany
Benedict, H
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Free Univ Berlin, Inst Chem, D-14195 Berlin, Germany
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[6]
Static and dynamic effects on vicinal scalar J couplings in proteins and peptides:: A MD/DFT analysis
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Case, DA
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0
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0
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Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA
Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA
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Scheurer, C
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Hu, JS
;
Bax, A
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0
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0
h-index:
0
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NIDDKD, Chem Phys Lab, NIH, Bethesda, MD 20892 USA
NIDDKD, Chem Phys Lab, NIH, Bethesda, MD 20892 USA
Bax, A
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
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121
(12)
:2949
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Ab initio calculations of spin-spin coupling constants in anhydrodeoxythymidines
[J].
Czernek, J
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0
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0
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0
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Masaryk Univ, Lab Biomol Struct & Dynam, CZ-61137 Brno, Czech Republic
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Predicted NMR coupling constants across hydrogen bonds: A fingerprint for specifying hydrogen bond type?
[J].
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N-N spin-spin coupling constants [2hJ(15N-15N)] across N-H•••N hydrogen bonds in neutral complexes:: To what extent does the bonding at the nitrogens influence 2hJN-N?
[J].
Del Bene, JE
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Bartlett, RJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2000,
122
(42)
:10480
-10481
←
1
2
3
4
→
共 32 条
[1]
The chemical nature of hydrogen bonding in proteins via NMR:: J-couplings, chemical shifts, and AIM theory
[J].
Arnold, WD
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Arnold, WD
;
Oldfield, E
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Oldfield, E
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2000,
122
(51)
:12835
-12841
[2]
Computation of through-space 19F-19F scalar couplings via density functional theory
[J].
Arnold, WD
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Arnold, WD
;
Mao, JH
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Mao, JH
;
Sun, HH
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Sun, HH
;
Oldfield, E
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Illinois, Dept Chem, Urbana, IL 61801 USA
Oldfield, E
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2000,
122
(49)
:12164
-12168
[3]
Bagno A, 2000, CHEM-EUR J, V6, P2925
[4]
A DFT study of the interresidue dependencies of scalar J-coupling and magnetic shielding in the hydrogen-bonding regions of a DNA tripler
[J].
Barfield, M
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
Barfield, M
;
Dingley, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
Dingley, AJ
;
Feigon, J
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
Feigon, J
;
论文数:
引用数:
h-index:
机构:
Grzesiek, S
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2001,
123
(17)
:4014
-4022
[5]
Nuclear scalar spin-spin couplings and geometries of hydrogen bonds
[J].
Benedict, H
论文数:
0
引用数:
0
h-index:
0
机构:
Free Univ Berlin, Inst Chem, D-14195 Berlin, Germany
Benedict, H
;
Shenderovich, IG
论文数:
0
引用数:
0
h-index:
0
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Free Univ Berlin, Inst Chem, D-14195 Berlin, Germany
Shenderovich, IG
;
Malkina, OL
论文数:
0
引用数:
0
h-index:
0
机构:
Free Univ Berlin, Inst Chem, D-14195 Berlin, Germany
Malkina, OL
;
Malkin, VG
论文数:
0
引用数:
0
h-index:
0
机构:
Free Univ Berlin, Inst Chem, D-14195 Berlin, Germany
Malkin, VG
;
Denisov, GS
论文数:
0
引用数:
0
h-index:
0
机构:
Free Univ Berlin, Inst Chem, D-14195 Berlin, Germany
Denisov, GS
;
Golubev, NS
论文数:
0
引用数:
0
h-index:
0
机构:
Free Univ Berlin, Inst Chem, D-14195 Berlin, Germany
Golubev, NS
;
Limbach, HH
论文数:
0
引用数:
0
h-index:
0
机构:
Free Univ Berlin, Inst Chem, D-14195 Berlin, Germany
Limbach, HH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2000,
122
(09)
:1979
-1988
[6]
Static and dynamic effects on vicinal scalar J couplings in proteins and peptides:: A MD/DFT analysis
[J].
Case, DA
论文数:
0
引用数:
0
h-index:
0
机构:
Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA
Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA
Case, DA
;
Scheurer, C
论文数:
0
引用数:
0
h-index:
0
机构:
Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA
Scheurer, C
;
Brüschweiler, R
论文数:
0
引用数:
0
h-index:
0
机构:
Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA
Brüschweiler, R
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2000,
122
(42)
:10390
-10397
[7]
Identification of the hydrogen bonding network in a protein by scalar couplings
[J].
Cornilescu, G
论文数:
0
引用数:
0
h-index:
0
机构:
NIDDKD, Chem Phys Lab, NIH, Bethesda, MD 20892 USA
NIDDKD, Chem Phys Lab, NIH, Bethesda, MD 20892 USA
Cornilescu, G
;
Hu, JS
论文数:
0
引用数:
0
h-index:
0
机构:
NIDDKD, Chem Phys Lab, NIH, Bethesda, MD 20892 USA
NIDDKD, Chem Phys Lab, NIH, Bethesda, MD 20892 USA
Hu, JS
;
Bax, A
论文数:
0
引用数:
0
h-index:
0
机构:
NIDDKD, Chem Phys Lab, NIH, Bethesda, MD 20892 USA
NIDDKD, Chem Phys Lab, NIH, Bethesda, MD 20892 USA
Bax, A
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1999,
121
(12)
:2949
-2950
[8]
Ab initio calculations of spin-spin coupling constants in anhydrodeoxythymidines
[J].
Czernek, J
论文数:
0
引用数:
0
h-index:
0
机构:
Masaryk Univ, Lab Biomol Struct & Dynam, CZ-61137 Brno, Czech Republic
Czernek, J
;
Lang, J
论文数:
0
引用数:
0
h-index:
0
机构:
Masaryk Univ, Lab Biomol Struct & Dynam, CZ-61137 Brno, Czech Republic
Lang, J
;
Sklenár, V
论文数:
0
引用数:
0
h-index:
0
机构:
Masaryk Univ, Lab Biomol Struct & Dynam, CZ-61137 Brno, Czech Republic
Sklenár, V
.
JOURNAL OF PHYSICAL CHEMISTRY A,
2000,
104
(12)
:2788
-2792
[9]
Predicted NMR coupling constants across hydrogen bonds: A fingerprint for specifying hydrogen bond type?
[J].
Del Bene, JE
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA
Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA
Del Bene, JE
;
Perera, SA
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA
Perera, SA
;
Bartlett, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA
Bartlett, RJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2000,
122
(14)
:3560
-3561
[10]
N-N spin-spin coupling constants [2hJ(15N-15N)] across N-H•••N hydrogen bonds in neutral complexes:: To what extent does the bonding at the nitrogens influence 2hJN-N?
[J].
Del Bene, JE
论文数:
0
引用数:
0
h-index:
0
机构:
Youngstown State Univ, Dept Chem, Youngstown, OH 44555 USA
Youngstown State Univ, Dept Chem, Youngstown, OH 44555 USA
Del Bene, JE
;
Bartlett, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
Youngstown State Univ, Dept Chem, Youngstown, OH 44555 USA
Bartlett, RJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
2000,
122
(42)
:10480
-10481
←
1
2
3
4
→