-
1
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behavior
-
Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A38:1988;3098
-
(1988)
Phys. Rev.
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
2
-
-
77956779984
-
Density-functional thermochemistry: 1. The effect of the exchange-only gradient correction
-
Becke A.D. Density-functional thermochemistry: 1. The effect of the exchange-only gradient correction. J. Chem. Phys. 96:1992;2155
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 2155
-
-
Becke, A.D.1
-
3
-
-
0001161681
-
Density-functional thermochemistry: 2. The effect of the Perdew-Wang generalized-gradient correlation correction
-
Becke A.D. Density-functional thermochemistry: 2. The effect of the Perdew-Wang generalized-gradient correlation correction. J. Chem. Phys. 97:1992;9173
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 9173
-
-
Becke, A.D.1
-
4
-
-
0000189651
-
Density-functional thermochemistry: 3. The role of exact exchange
-
Becke A.D. Density-functional thermochemistry: 3. The role of exact exchange. J. Chem. Phys. 98:1993;5648
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
5
-
-
0000644680
-
Chemistry by density functional theory
-
D.P. Chong. Singapore: World Scientific Publishing
-
Bauschlicher C.W. Jr., Ricca A., Partridge H., Langhoff S.R. Chemistry by density functional theory. Chong D.P. Recent Advances in Density Functional Methods, Part II. 1997;165 World Scientific Publishing, Singapore
-
(1997)
Recent Advances in Density Functional Methods, Part II
, pp. 165
-
-
Bauschlicher Jr., C.W.1
Ricca, A.2
Partridge, H.3
Langhoff, S.R.4
-
6
-
-
0038305457
-
Quantum chemical studies of radical-containing enzymes
-
Himo F., Siegbahn P.E.M. Quantum chemical studies of radical-containing enzymes. Chem. Rev. 103:2003;2421
-
(2003)
Chem. Rev.
, vol.103
, pp. 2421
-
-
Himo, F.1
Siegbahn, P.E.M.2
-
7
-
-
0001181339
-
Density functional theory of biologically relevant metal centers
-
Siegbahn P.E.M., Blomberg M.R.A. Density functional theory of biologically relevant metal centers. Annu. Rev. Phys. Chem. 50:1999;221
-
(1999)
Annu. Rev. Phys. Chem.
, vol.50
, pp. 221
-
-
Siegbahn, P.E.M.1
Blomberg, M.R.A.2
-
8
-
-
0035807631
-
A quantum chemical approach to the study of reaction mechanisms of redox-active metalloenzymes
-
Siegbahn P.E.M., Blomberg M.R.A. A quantum chemical approach to the study of reaction mechanisms of redox-active metalloenzymes. J. Phys. Chem., B. 105:2001;9375
-
(2001)
J. Phys. Chem., B
, vol.105
, pp. 9375
-
-
Siegbahn, P.E.M.1
Blomberg, M.R.A.2
-
9
-
-
0037295343
-
Mechanisms of metalloenzymes studied by quantum chemical methods
-
Siegbahn P.E.M. Mechanisms of metalloenzymes studied by quantum chemical methods. Q. Rev. Biophys. 36:2003;91
-
(2003)
Q. Rev. Biophys.
, vol.36
, pp. 91
-
-
Siegbahn, P.E.M.1
-
12
-
-
0026547534
-
The free radical in pyruvate formate-lyase is located on glycine-734
-
Wagner A.F.V., Frey M., Neugebauer F.A., Schafer W., Knappe J. The free radical in pyruvate formate-lyase is located on glycine-734. Proc. Natl. Acad. Sci. U. S. A. 89:1992;996
-
(1992)
Proc. Natl. Acad. Sci. U. S. A.
, vol.89
, pp. 996
-
-
Wagner, A.F.V.1
Frey, M.2
Neugebauer, F.A.3
Schafer, W.4
Knappe, J.5
-
13
-
-
0000062832
-
Pyruvate formate lyase is structurally homologous to type I ribonucleotide reductase
-
Leppänen V.-M., Merckel M.C., Ollis D.L., Wong K.K., Kozarich J.W., Goldman A. Pyruvate formate lyase is structurally homologous to type I ribonucleotide reductase. Structure. 7:1999;733
-
(1999)
Structure
, vol.7
, pp. 733
-
-
Leppänen, V.-M.1
Merckel, M.C.2
Ollis, D.L.3
Wong, K.K.4
Kozarich, J.W.5
Goldman, A.6
-
14
-
-
0032851377
-
Structure and mechanism of the glycyl radical enzyme pyruvate formate-lyase
-
Becker A., Fritz-Wolf K., Kabsch W., Knappe J., Schultz S., Wagner A.F.V. Structure and mechanism of the glycyl radical enzyme pyruvate formate-lyase. Nat. Struct. Biol. 6:1999;969
-
(1999)
Nat. Struct. Biol.
, vol.6
, pp. 969
-
-
Becker, A.1
Fritz-Wolf, K.2
Kabsch, W.3
Knappe, J.4
Schultz, S.5
Wagner, A.F.V.6
-
15
-
-
0037131403
-
X-ray structure of pyruvate formate-lyase in complex with pyruvate and CoA
-
Becker A., Kabsch W. X-ray structure of pyruvate formate-lyase in complex with pyruvate and CoA. J. Biol. Chem. 277:2002;40036
-
(2002)
J. Biol. Chem.
, vol.277
, pp. 40036
-
-
Becker, A.1
Kabsch, W.2
-
16
-
-
0032508865
-
Catalytic mechanism of pyruvate formate-lyase; A theoretical study
-
Himo F., Eriksson L.A. Catalytic mechanism of pyruvate formate-lyase; a theoretical study. J. Am. Chem. Soc. 120:1998;11449
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 11449
-
-
Himo, F.1
Eriksson, L.A.2
-
17
-
-
0001504129
-
Stability of protein-bound glycyl radical, a density functional theory study
-
Himo F. Stability of protein-bound glycyl radical, a density functional theory study. Chem. Phys. Lett. 328:2000;270
-
(2000)
Chem. Phys. Lett.
, vol.328
, pp. 270
-
-
Himo, F.1
-
18
-
-
0000887613
-
On the local geometry of glycyl radicals in different enzymes
-
Himo F., Eriksson L.A. On the local geometry of glycyl radicals in different enzymes. J. Chem. Soc., Perkin Trans. 2(2):1998;305
-
(1998)
J. Chem. Soc., Perkin Trans.
, vol.2
, Issue.2
, pp. 305
-
-
Himo, F.1
Eriksson, L.A.2
-
19
-
-
0024294291
-
Inactivation of Escherichia coli pyruvate formate-lyase by hypophosphite: Evidence for a rate-limiting phosphorus-hydrogen bond cleavage
-
Brush E.J., Lipsett K.A., Kozarich J.W. Inactivation of Escherichia coli pyruvate formate-lyase by hypophosphite: evidence for a rate-limiting phosphorus-hydrogen bond cleavage. Biochemistry. 27:1988;2217
-
(1988)
Biochemistry
, vol.27
, pp. 2217
-
-
Brush, E.J.1
Lipsett, K.A.2
Kozarich, J.W.3
-
20
-
-
0028804728
-
Hydrogen exchange of the glycyl radical of pyruvate formate-lyase is catalyzed by cysteine 419
-
Parast C.V., Wong K.K., Lewisch S.A., Kozarich J.W., Peisach J., Magliozzo R.S. Hydrogen exchange of the glycyl radical of pyruvate formate-lyase is catalyzed by cysteine 419. Biochemistry. 34:1995;2393
-
(1995)
Biochemistry
, vol.34
, pp. 2393
-
-
Parast, C.V.1
Wong, K.K.2
Lewisch, S.A.3
Kozarich, J.W.4
Peisach, J.5
Magliozzo, R.S.6
-
22
-
-
0033533642
-
Mechanistic studies on the repair of a novel DNA photolesion: The spore photoproduct
-
Mehl R.A., Begley T.P. Mechanistic studies on the repair of a novel DNA photolesion: the spore photoproduct. Org. Lett. 1:1999;1065
-
(1999)
Org. Lett.
, vol.1
, pp. 1065
-
-
Mehl, R.A.1
Begley, T.P.2
-
23
-
-
0035979231
-
The subunit structure and catalytic mechanism of the Bacillus subtilis DNA repair enzyme spore photoproduct lyase
-
Rebeil R., Nicholson W.L. The subunit structure and catalytic mechanism of the Bacillus subtilis DNA repair enzyme spore photoproduct lyase. Proc. Natl. Acad. Sci. U. S. A. 98:2001;9038
-
(2001)
Proc. Natl. Acad. Sci. U. S. A.
, vol.98
, pp. 9038
-
-
Rebeil, R.1
Nicholson, W.L.2
-
24
-
-
0037181382
-
Direct H atom abstraction from spore photoproduct C-6 initiates DNA repair in the reaction catalyzed by spore photoproduct lyase: Evidence for a reversibly generated adenosyl radical intermediate
-
Cheek J., Broderick J.B. Direct H atom abstraction from spore photoproduct C-6 initiates DNA repair in the reaction catalyzed by spore photoproduct lyase: evidence for a reversibly generated adenosyl radical intermediate. J. Am. Chem. Soc. 124:2002;2860
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 2860
-
-
Cheek, J.1
Broderick, J.B.2
-
25
-
-
0242355025
-
DNA repair by spore photoproduct lyase; A density functional theory study
-
Guo J.-D., Luo Y., Himo F. DNA repair by spore photoproduct lyase; a density functional theory study. J. Phys. Chem., B. 107:2003;11188
-
(2003)
J. Phys. Chem., B.
, vol.107
, pp. 11188
-
-
Guo, J.-D.1
Luo, Y.2
Himo, F.3
-
26
-
-
0031980567
-
Biochemical and genetic characterization of benzylsuccinate synthase from thauera aromatica: A new glycyl radical enzyme catalysing the first step in anaerobic toluene metabolism
-
Leuthner B., Leutwein C., Schulz H., Hörth P., Haehnel W., Schilz E., Schägger H., Heider J. Biochemical and genetic characterization of benzylsuccinate synthase from thauera aromatica: a new glycyl radical enzyme catalysing the first step in anaerobic toluene metabolism. Mol. Microbiol. 28:1998;615
-
(1998)
Mol. Microbiol.
, vol.28
, pp. 615
-
-
Leuthner, B.1
Leutwein, C.2
Schulz, H.3
Hörth, P.4
Haehnel, W.5
Schilz, E.6
Schägger, H.7
Heider, J.8
-
27
-
-
0035918166
-
A stable organic free radical in anaerobic benzylsuccinate synthase of Azoarcus sp. strain T
-
Krieger C.J., Roseboom W., Albracht S.P.J., Spormann A.M. A stable organic free radical in anaerobic benzylsuccinate synthase of Azoarcus sp. strain T. J. Biol. Chem. 276:2001;12924
-
(2001)
J. Biol. Chem.
, vol.276
, pp. 12924
-
-
Krieger, C.J.1
Roseboom, W.2
Albracht, S.P.J.3
Spormann, A.M.4
-
28
-
-
84961974056
-
Catalytic mechanism of benzylsuccinate synthase. A theoretical study
-
Himo F. Catalytic mechanism of benzylsuccinate synthase. A theoretical study. J. Phys. Chem., B. 106:2002;7688
-
(2002)
J. Phys. Chem., B.
, vol.106
, pp. 7688
-
-
Himo, F.1
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