- Abstract. Quantum chemical model studies of hydrogen transfer between amino acids in the presence of radicals
- Mechanism of H-H Activation by Nickel-Iron Hydrogenase Maria Pavlov,*, Per E. M. Siegbahn,*, Margareta R. A. Blomberg, and
- Statistical Modeling of Gas-Phase Organometallic Reactions Based on Density Functional Theory: Ni+ + C3H8
- P. E. M. Siegbahn (Y) Department of Physics, Stockholm University,
- Modeling Electron Transfer in Biochemistry: A Quantum Chemical Study of Charge Separation in Rhodobacter sphaeroides and
- Study of the N-H,,,H-B Dihydrogen Bond Including the Crystal Structure of BH3NH3 by Neutron Diffraction
- Theoretical Study of the Mechanism of Peptide Ring Formation in Green
- New Aspects of H Activation by2 Nickel Iron Hydrogenase
- Transition-Metal Systems in Biochemistry Studied by High-Accuracy Quantum Chemical Methods
- Abstract. A concerted mechanism for proton exchange between water and the amino acid side chains of
- www.elsevier.nl/locate/jinorgbio Journal of Inorganic Biochemistry 80 (2000) 261269
- Catalytic Mechanism of Galactose Oxidase: A Theoretical Study Fahmi Himo,*, Leif A. Eriksson, Feliu Maseras, and Per E. M. Siegbahn
- A Theoretical Study of the Mechanism for the Reductive Half-Reaction of Pea Seedling Amine Oxidase (PSAO)
- Modeling Aspects of Mechanisms for Reactions Catalyzed by Metalloenzymes
- Computational Analysis of the Autocatalytic Posttranslational Cyclization Observed in Histidine Ammonia-Lyase. A Comparison
- The Substrate Reaction Mechanism of Class III Anaerobic Ribonucleotide Reductase Kyung-Bin Cho, Fahmi Himo, Astrid Gra1slund, and Per E. M. Siegbahn*,
- A comparison of dioxygen bond-cleavage in ribonucleotide reductase (RNR) and methane monooxygenase (MMO)
- Activation of Triplet Dioxygen by Glucose Oxidase: Spin-Orbit Coupling in the Superoxide Ion
- Abstract The mechanism of orotidine 5-monophosphate decarboxylase (ODCase) has been modeled using
- Catalytic Mechanism of Matrix Metalloproteinases: Two-Layered ONIOM Vladimir Pelmenschikov and Per E. M. Siegbahn*
- A theoretical study of the dioxygen activation by glucose oxidase and copper amine oxidase
- Quantum Chemical Studies of Radical-Containing Enzymes Fahmi Himo*, and Per E. M. Siegbahn*,
- A Comparison of the Mechanism for the Reductive Half-Reaction between Pea Seedling and Other Copper
- Mechanism of Aromatic Hydroxylation by an Activated FeIVO Core in Tetrahydrobiopterin-Dependent Hydroxylases
- Electronic and Magnetic Properties of Neutral and Charged Quinone and Plastoquinone Leif A. Eriksson,*, Fahmi Himo, Per E. M. Siegbahn, and Gerald T. Babcock
- Catalytic Mechanism of Glyoxalase I: A Theoretical Study Fahmi Himo*, and Per E. M. Siegbahn
- 14 August 1998 Z .Chemical Physics Letters 292 1998 421430
- Manganese Oxyl Radical Intermediates and O-O Bond Formation in Photosynthetic Oxygen Evolution and a Proposed Role for the
- Very Stable Ribonucleotide Substrate Radical Relevant for Class I Ribonucleotide Fahmi Himo and Per E. M. Siegbahn*
- ORIGINAL ARTICLE Vladimir Pelmenschikov Margareta R.A. Blomberg
- Quantum chemical studies of redox-active enzymes Per E. M. Siegbahn
- Relative Acidities of Ortho-Substituted Phenols, as Models for Modified Tyrosines in Fahmi Himo,*, Louis Noodleman, Margareta R. A. Blomberg, and Per E. M. Siegbahn
- A Quantum Chemical Study of the Synthesis of Prostaglandin G2 by the Cyclooxygenase Active Site in Prostaglandin Endoperoxide H Synthase 1
- During the past five years, hybrid density functional theory has been used to study mechanisms for redox-active enzymes
- PH YSICS, 2003, NOS. 1--2, 323 che mical study tyrosyl
- Peruoroalkane photodeuorination via mercury photosensitization: experimental and theoretical aspects
- Abstract. The catalytic mechanism of manganese cata-lase has been studied using the Becke's three parameter
- Theoretical Study of the Substrate Mechanism of Ribonucleotide Per E. M. Siegbahn
- FEATURE ARTICLE A Quantum Chemical Approach to the Study of Reaction Mechanisms of Redox-Active
- Metal-Bridging Mechanism for O-O Bond Cleavage in Cytochrome c Margareta R. A. Blomberg* and Per E. M. Siegbahn
- A Quantum Chemical Study of the Mechanism of Tyrosinase Torulf Lind and Per E. M. Siegbahn*
- Mechanismsofmetalloenzymesstudiedby quantumchemicalmethods
- A Density Functional Study of O-O Bond Cleavage for a Biomimetic Non-Heme Iron Complex Demonstrating an
- Hydrogen Atom Transfer in Ribonucleotide Reductase (RNR) Per E. M. Siegbahn,* Leif Eriksson, Fahmi Himo, and Maria Pavlov
- Theoretical Study of the Energetics of Proton Pumping and Oxygen Reduction in Cytochrome Oxidase
- A Mechanistic Study of Isopenicillin N Formation Using Density Functional Theory
- Hydration of Beryllium, Magnesium, Calcium, and Zinc Ions Using Density Functional Maria Pavlov, Per E. M. Siegbahn,*, and Magnus Sandstro1m
- Theoretical Study of the Mechanism for the Oxidative Half-Reaction of Copper Amine Oxidase (CAO)
- The Dehydration Step in the Enzyme-Coenzyme-B12 Catalyzed Diol Dehydrase Reaction of 1,2-Dihydroxyethane Utilizing a Hydrogen-Bonded Carboxylic Acid Group as an Additional
- Mechanism of Dioxygen Cleavage in Tetrahydrobiopterin-Dependent Amino Acid Hydroxylases
- Reaction Mechanism of Compound I Formation in Heme Peroxidases: A Density Functional Theory Study
- J Biol Inorg Chem (2001) 6 : 460466 DOI 10.1007/s007750100226
- Theoretical Model Studies of the Iron Dimer Complex of MMO and RNR Per E. M. Siegbahn
- Substituent Effects on OH Bond Strength and Hyperfine Properties of Phenol,
- Nitrogen Fixation by Nitrogenases: A Quantum Chemical Study Per E. M. Siegbahn* and Joakim Westerberg
- Theoretical Models for the Oxygen Radical Mechanism of Water Oxidation and of the Water Oxidizing Complex of Photosystem II
- J Biol Inorg Chem (2001) 6 : 2745 DOI 10.1007/s007750000184
- Abstract. Dierent metal complexes of the general form M(OH)n(H2O)6n have been studied for manganese and
- Modeling Cytochrome Oxidase: A Quantum Chemical Study of the O-O Bond Cleavage Mechanism
- A Mechanism from Quantum Chemical Studies for Methane Formation in Methanogenesis
