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Quantum chemical studies of radical-containing enzymes.
Himo F, Siegbahn PE. Himo F, et al. Among authors: siegbahn pe. Chem Rev. 2003 Jun;103(6):2421-56. doi: 10.1021/cr020436s. Chem Rev. 2003. PMID: 12797836 Review. No abstract available.
O-O bond cleavage and alkane hydroxylation in methane monooxygenase.
Siegbahn PE. Siegbahn PE. J Biol Inorg Chem. 2001 Jan;6(1):27-45. doi: 10.1007/s007750000184. J Biol Inorg Chem. 2001. PMID: 11191221
Theoretical models for the oxygen radical mechanism of water oxidation and of the water oxidizing complex of photosystem II.
Siegbahn PE. Siegbahn PE. Inorg Chem. 2000 Jun 26;39(13):2923-35. doi: 10.1021/ic9911872. Inorg Chem. 2000. PMID: 11232834
The mechanism of the Ni-Fe hydrogenases: a quantum chemical perspective.
Siegbahn PE, Blomberg MR, Wirstam née Pavlov M, Crabtree RH. Siegbahn PE, et al. J Biol Inorg Chem. 2001 Apr;6(4):460-6. doi: 10.1007/s007750100226. J Biol Inorg Chem. 2001. PMID: 11372205 Review.
Is the bis-mu-oxo Cu2(III,III) state an intermediate in tyrosinase?
Siegbahn PE, Wirstam M. Siegbahn PE, et al. J Am Chem Soc. 2001 Nov 28;123(47):11819-20. doi: 10.1021/ja010829t. J Am Chem Soc. 2001. PMID: 11716748 No abstract available.
Transition-metal systems in biochemistry studied by high-accuracy quantum chemical methods.
Siegbahn PE, Blomberg MR. Siegbahn PE, et al. Chem Rev. 2000 Feb 9;100(2):421-38. doi: 10.1021/cr980390w. Chem Rev. 2000. PMID: 11749242 No abstract available.
A theoretical study of the mechanism for peptide hydrolysis by thermolysin.
Pelmenschikov V, Blomberg MR, Siegbahn PE. Pelmenschikov V, et al. Among authors: siegbahn pe. J Biol Inorg Chem. 2002 Mar;7(3):284-98. doi: 10.1007/s007750100295. Epub 2001 Sep 27. J Biol Inorg Chem. 2002. PMID: 11935352
A mechanism from quantum chemical studies for methane formation in methanogenesis.
Pelmenschikov V, Blomberg MR, Siegbahn PE, Crabtree RH. Pelmenschikov V, et al. Among authors: siegbahn pe. J Am Chem Soc. 2002 Apr 17;124(15):4039-49. doi: 10.1021/ja011664r. J Am Chem Soc. 2002. PMID: 11942842
Quantum chemical studies of manganese centers in biology.
Siegbahn PE. Siegbahn PE. Curr Opin Chem Biol. 2002 Apr;6(2):227-35. doi: 10.1016/s1367-5931(02)00312-5. Curr Opin Chem Biol. 2002. PMID: 12039009 Review.
A density functional study of O-O bond cleavage for a biomimetic non-heme iron complex demonstrating an Fe(v)-intermediate.
Bassan A, Blomberg MR, Siegbahn PE, Que L Jr. Bassan A, et al. Among authors: siegbahn pe. J Am Chem Soc. 2002 Sep 18;124(37):11056-63. doi: 10.1021/ja026488g. J Am Chem Soc. 2002. PMID: 12224953
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