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Results: 1-25/30
Authors:
Blomberg, MRA
Siegbahn, PEM
Citation: Mra. Blomberg et Pem. Siegbahn, A quantum chemical approach to the study of reaction mechanisms of redox-active metalloenzymes, J PHYS CH B, 105(39), 2001, pp. 9375-9386
Authors:
Cho, KB
Himo, F
Graslund, A
Siegbahn, PEM
Citation: Kb. Cho et al., The substrate reaction mechanism of class III anaerobic ribonucleotide reductase, J PHYS CH B, 105(27), 2001, pp. 6445-6452
Authors:
Prabhakar, R
Siegbahn, PEM
Citation: R. Prabhakar et Pem. Siegbahn, A theoretical study of the mechanism for the reductive half-reaction of pea seedling amine oxidase (PSAO), J PHYS CH B, 105(19), 2001, pp. 4400-4408
Authors:
Siegbahn, PEM
Citation: Pem. Siegbahn, A quantum chemical study of the mechanism of manganese catalase, THEOR CH AC, 105(3), 2001, pp. 197-206
Authors:
Siegbahn, PEM
Blomberg, MRA
Pavlov, MWN
Crabtree, RH
Citation: Pem. Siegbahn et al., The mechanism of the Ni-Fe hydrogenases: a quantum chemical perspective, J BIOL I CH, 6(4), 2001, pp. 460-466
Authors:
Siegbahn, PEM
Citation: Pem. Siegbahn, O-O bond cleavage and alkane hydroxylation in methane monooxygenase, J BIOL I CH, 6(1), 2001, pp. 27-45
Authors:
Siegbahn, PEM
Citation: Pem. Siegbahn, Modeling aspects of mechanisms for reactions catalyzed by metalloenzymes, J COMPUT CH, 22(14), 2001, pp. 1634-1645
Authors:
Siegbahn, PEM
Wirstam, M
Citation: Pem. Siegbahn et M. Wirstam, Is the bis-mu-oxo Cu-2(III,III) state an intermediate in tyrosinase?, J AM CHEM S, 123(47), 2001, pp. 11819-11820
Authors:
Himo, F
Siegbahn, PEM
Citation: F. Himo et Pem. Siegbahn, Catalytic mechanism of glyoxalase I: A theoretical study, J AM CHEM S, 123(42), 2001, pp. 10280-10289
Authors:
Himo, F
Siegbahn, PEM
Citation: F. Himo et Pem. Siegbahn, Very stable ribonucleotide substrate radical relevant for class I ribonucleotide reductase, J PHYS CH B, 104(31), 2000, pp. 7502-7509
Authors:
Prabhakar, R
Blomberg, MRA
Siegbahn, PEM
Citation: R. Prabhakar et al., A density functional theory study of a concerted mechanism for proton exchange between amino acid side chains and water, THEOR CH AC, 104(6), 2000, pp. 461-470
Authors:
Blomberg, MRA
Siegbahn, PEM
Babcock, GT
Wikstrom, M
Citation: Mra. Blomberg et al., O-O bond splitting mechanism in cytochrome oxidase, J INORG BIO, 80(3-4), 2000, pp. 261-269
Authors:
Siegbahn, PEM
Crabtree, RH
Citation: Pem. Siegbahn et Rh. Crabtree, Quantum chemical studies on metal-oxo species related to the mechanisms ofmethane monooxygenase and photosynthetic oxygen evolution, STRUCT BOND, 97, 2000, pp. 125-144
Authors:
Siegbahn, PEM
Wirstam, M
Zimmer, M
Citation: Pem. Siegbahn et al., Theoretical study of the mechanism of peptide ring formation in green fluorescent protein, INT J QUANT, 81(2), 2000, pp. 169-186
Authors:
Himo, F
Eriksson, LA
Blomberg, MRA
Siegbahn, PEM
Citation: F. Himo et al., Substituent effects on OH bond strength and hyperfine properties of phenol, as model for modified tyrosyl radicals in proteins, INT J QUANT, 76(6), 2000, pp. 714-723
Authors:
Siegbahn, PEM
Citation: Pem. Siegbahn, Theoretical models for the oxygen radical mechanism of water oxidation andof the water oxidizing complex of photosystem II, INORG CHEM, 39(13), 2000, pp. 2923-2935
Authors:
Siegbahn, PEM
Blomberg, MRA
Citation: Pem. Siegbahn et Mra. Blomberg, Transition-metal systems in biochemistry studied by high-accuracy quantum chemical methods, CHEM REV, 100(2), 2000, pp. 421-437
Authors:
Blomberg, MRA
Siegbahn, PEM
Babcock, GT
Wikstrom, M
Citation: Mra. Blomberg et al., Modeling cytochrome oxidase: A quantum chemical study of the O-O bond cleavage mechanism, J AM CHEM S, 122(51), 2000, pp. 12848-12858
Authors:
Wirstam, M
Siegbahn, PEM
Citation: M. Wirstam et Pem. Siegbahn, A mechanistic study of isopenicillin N formation using density functional theory, J AM CHEM S, 122(35), 2000, pp. 8539-8547
Authors:
Himo, F
Eriksson, LA
Maseras, F
Siegbahn, PEM
Citation: F. Himo et al., Catalytic mechanism of galactose oxidase: A theoretical study, J AM CHEM S, 122(33), 2000, pp. 8031-8036
Authors:
Lind, T
Siegbahn, PEM
Crabtree, RH
Citation: T. Lind et al., A quantum chemical study of the mechanism of tyrosinase, J PHYS CH B, 103(7), 1999, pp. 1193-1202
Authors:
George, P
Siegbahn, PEM
Glusker, JP
Bock, CW
Citation: P. George et al., The dehydration step in the enzyme-coenzyme-B-12 catalyzed diol dehydrase reaction of 1,2-dihydroxyethane utilizing a hydrogen-bonded carboxylic acidgroup as an additional cofactor: A computational study, J PHYS CH B, 103(35), 1999, pp. 7531-7541
Authors:
Siegbahn, PEM
Blomberg, MRA
Citation: Pem. Siegbahn et Mra. Blomberg, Density functional theory of biologically relevant metal centers, ANN R PH CH, 50, 1999, pp. 221-249
Authors:
Blomberg, MRA
Siegbahn, PEM
Citation: Mra. Blomberg et Pem. Siegbahn, Ligands with radical character for high oxidation states in manganese and iron complexes, MOLEC PHYS, 96(4), 1999, pp. 571-581
Authors:
Pavlov, M
Blomberg, MRA
Siegbahn, PEM
Citation: M. Pavlov et al., New aspects of H-2 activation by nickel-iron hydrogenase, INT J QUANT, 73(2), 1999, pp. 197-207