Related references
Note: Only part of the references are listed.Electrostatic Perturbations in the Substrate-Binding Pocket of Taurine/α-Ketoglutarate Dioxygenase Determine its Selectivity
Hafiz Saqib Ali et al.
CHEMISTRY-A EUROPEAN JOURNAL (2022)
Biodegradation of Herbicides by a Plant Nonheme Iron Dioxygenase: Mechanism and Selectivity of Substrate Analogues
Yen-Ting Lin et al.
CHEMISTRY-A EUROPEAN JOURNAL (2022)
Predicting Dinitrogen Activation by Five-Electron Boron-Centered Radicals
Jie Zeng et al.
INORGANIC CHEMISTRY (2022)
Emergence of Function from Nonheme Diiron Oxygenases: A Quantum Mechanical/Molecular Mechanical Study of Oxygen Activation and Organophosphonate Catabolism Mechanisms by PhnZ
Xitong Song et al.
ACS CATALYSIS (2022)
Predominance of the second cycle in homogeneous Os-catalyzed dihydroxylation: the nature of Os(vi) → Os(viii) reoxidation and unprecedented roles of amine-N-oxides
Aqeel A. Hussein et al.
CATALYSIS SCIENCE & TECHNOLOGY (2022)
Phosphine-Stabilized Germylidenylpnictinidenes as SyntheticEquivalents of Heavier Nitrile and Isocyanide in CycloadditionReactions with Alkynes
Yuhao He et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)
Understanding of Co(I)-Catalyzed Hydrogenation of C=C and C=O Substrates
Tilong Yang et al.
TOPICS IN CATALYSIS (2022)
Biodegradation of Herbicides by a Plant Nonheme Iron Dioxygenase: Mechanism and Selectivity of Substrate Analogues
Yen-Ting Lin et al.
CHEMISTRY-A EUROPEAN JOURNAL (2022)
Computational Study of the C5-Hydroxylation Mechanism Catalyzed by the Diiron Monooxygenase PtmU3 as Part of the Platensimycin Biosynthesis
Shiqing Zhang et al.
INORGANIC CHEMISTRY (2021)
Revealing the Mechanism of Isethionate Sulfite-Lyase by QM/MM Calculations
Wen-Hao Deng et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2021)
Antiaromaticity-Promoted Radical Stability in α-Methyl Heterocyclics
Lu Lin et al.
JOURNAL OF ORGANIC CHEMISTRY (2021)
Nuclear Resonance Vibrational Spectroscopic Definition of the Fe(IV)2 Intermediate Q in Methane Monooxygenase and Its Reactivity
Ariel Benjamin Jacobs et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)
C-C versus C-H Activation: Understanding How the Carbene π-Accepting Ability Controls the Intramolecular Reactivities of Mono(carbene)-Stabilized Borylenes
Linlin Wu et al.
ORGANOMETALLICS (2021)
Predicting Dinitrogen Activation via Transition-Metal-Involved [4+2] Cycloaddition Reaction
Shicheng Dong et al.
CHEMISTRY-AN ASIAN JOURNAL (2021)
Structure-Spectroscopy Correlations for Intermediate Q of Soluble Methane Monooxygenase: Insights from QM/MM Calculations
Christine E. Schulz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)
Spin-Regulated Inner-Sphere Electron Transfer Enables Efficient O-O Bond Activation in Nonheme Diiron Monooxygenase MIOX
Jia Liu et al.
ACS CATALYSIS (2021)
Beyond the Nucleophilic Role of Metal-Boryl Complexes in Borylation Reactions
Xueying Guo et al.
ACS CATALYSIS (2021)
Negative catalysis/non-Bell-Evans-Polanyi reactivity by metalloenzymes: Examples from mononuclear heme and non-heme iron oxygenases
Sam P. de Visser et al.
COORDINATION CHEMISTRY REVIEWS (2021)
Mechanistic Insights into Activation of Carbon Monoxide, Carbon Dioxide, and Nitrous Oxide by Acyclic Silylene
Xueying Guo et al.
INORGANIC CHEMISTRY (2021)
Antiferromagnetically coupled [Fe8S9] cluster catalyzed acetylene reduction in a nitrogenase-like enzyme DCCPCh: Insights from QM/MM calculations
Rong-Zhen Liao et al.
JOURNAL OF CATALYSIS (2021)
A comprehensive insight into aldehyde deformylation: mechanistic implications from biology and chemistry
Umesh Kumar Bagha et al.
ORGANIC & BIOMOLECULAR CHEMISTRY (2021)
Second-Coordination Sphere Effects on Selectivity and Specificity of Heme and Nonheme Iron Enzymes
Sam P. de Visser
CHEMISTRY-A EUROPEAN JOURNAL (2020)
DFT Study on the Catalytic Activity of ALD-Grown Diiron Oxide Nanoclusters for Partial Oxidation of Methane to Methanol
Melissa Barona et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Mechanistic Investigation of Isonitrile Formation Catalyzed by the Nonheme Iron/α-KG-Dependent Decarboxylase (ScoE)
Hong Li et al.
ACS CATALYSIS (2020)
Proton-Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase
Daniel Bim et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Theoretical study on the catalytic mechanism of human deoxyhypusine hydroxylase
Junkai Wang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
C-H Bond Cleavage Is Rate-Limiting for Oxidative C-P Bond Cleavage by the Mixed Valence Diiron-Dependent Oxygenase PhnZ
Simanga R. Gama et al.
BIOCHEMISTRY (2019)
From Alkane to Alkene: The Inert Aliphatic C-H Bond Activation Presented by Binuclear Iron Stearoyl-CoA Desaturase with a Long di-Fe Distance of 6 Å
Ming-Jia Yu et al.
ACS CATALYSIS (2019)
Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis
Liao-Bin Dong et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Soluble Methane Monooxygenase
Rahul Banerjee et al.
ANNUAL REVIEW OF BIOCHEMISTRY, VOL 88 (2019)
Mechanism of the Dinuclear Iron Enzyme p-Aminobenzoate N-oxygenase from Density Functional Calculations
Wen-Jie Wei et al.
CHEMCATCHEM (2019)
Selective Hydrogen Atom Abstraction from Dihydroflavonol by a Nonheme Iron Center Is the Key Step in the Enzymatic Flavonol Synthesis and Avoids Byproducts
Sidra Ghafoor et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Mechanical insights into the oxidative cleavage of resveratrol catalyzed by dioxygenase NOV1 from Novosphingobium aromaticivorans: confirmation of dioxygenase mechanism by QM/MM calculations
Jie Bai et al.
CATALYSIS SCIENCE & TECHNOLOGY (2019)
Mechanism of fatty acid decarboxylation catalyzed by a non-heme iron oxidase (UndA): a QM/MM study
Shiqing Zhang et al.
ORGANIC & BIOMOLECULAR CHEMISTRY (2019)
Mechanistic Insight on the Activity and Substrate Selectivity of Nonheme Iron Dioxygenases
Sam P. de Visser
CHEMICAL RECORD (2018)
Dioxygen Activation by Nonheme Diiron Enzymes: Diverse Dioxygen Adducts, High-Valent Intermediates, and Related Model Complexes
Andrew J. Jasniewski et al.
CHEMICAL REVIEWS (2018)
Unravelling Chemical Interactions with Principal Interacting Orbital Analysis
Jing-Xuan Zhang et al.
CHEMISTRY-A EUROPEAN JOURNAL (2018)
A Comparative Review on the Catalytic Mechanism of Nonheme Iron Hydroxylases and Halogenases
Amy Timmins et al.
CATALYSTS (2018)
Computational Understanding of the Selectivities in Metalloenzymes
Wen-Jie Wei et al.
FRONTIERS IN CHEMISTRY (2018)
Convergent Theoretical Prediction of Reactive Oxidant Structures in Diiron Arylamine Oxygenases AurF and Cmll: Peroxo or Hydroperoxo?
Chao Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Peroxide Activation for Electrophilic Reactivity by the Binuclear Non-heme Iron Enzyme AurF
Kiyoung Park et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Unprecedented (μ-1,1-Peroxo)diferric Structure for the Ambiphilic Orange Peroxo Intermediate of the Nonheme N-Oxygenase Cmll
Andrew J. Jasniewski et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
In-crystal reaction cycle of a toluene-bound diiron hydroxylase
Justin F. Acheson et al.
NATURE (2017)
Mechanism of Organophosphonate Catabolism by Diiron Oxygenase PhnZ: A Third Iron-Mediated O-O Activation Scenario in Nature
Chongyang Zhao et al.
ACS CATALYSIS (2017)
Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs
Matthew G. Quesne et al.
CHEMISTRY-A EUROPEAN JOURNAL (2016)
A Carboxylate Shift Regulates Dioxygen Activation by the Diiron Nonheme β-Hydroxylase CmIA upon Binding of a Substrate-Loaded Nonribosomal Peptide Synthetase
Andrew J. Jasniewski et al.
BIOCHEMISTRY (2016)
A growing family of O2 activating dinuclear iron enzymes with key catalytic diiron(III)-peroxo intermediates: Biological systems and chemical models
Alexandre Trehoux et al.
COORDINATION CHEMISTRY REVIEWS (2016)
Calculated Mechanism of Cyanobacterial Aldehyde-Deformylating Oxygenase: Asymmetric Aldehyde Activation by a Symmetric Diiron Cofactor
Chao Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
How do Enzymes Utilize Reactive OH Radicals? Lessons from Nonheme HppE and Fenton Systems
Binju Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Pathways for Arene Oxidation in Non-Heme Diiron Enzymes: Lessons from Computational Studies on Benzoyl Coenzyme A Epoxidase
Tibor Andras Rokob
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Computational Examination on the Active Site Structure of a (Peroxo)diiron(III) Intermediate in the Amine Oxygenase AurF
Prabha Jayapal et al.
INORGANIC CHEMISTRY (2015)
Single Turnover Reveals Oxygenated Intermediates in Toluene/o-Xylene Monooxygenase in the Presence of the Native Redox Partners
Alexandria Deliz Liang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
An Unusual Peroxo Intermediate of the Arylamine Oxygenase of the Chloramphenicol Biosynthetic Pathway
Thomas M. Makris et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Structure of the key species in the enzymatic oxidation of methane to methanol
Rahul Banerjee et al.
NATURE (2015)
The Beauty of a Visualized Peroxo-diiron(III) Intermediate
Gerhard Grueber
STRUCTURE (2015)
Crystal Structure of the Peroxo-diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination
Zhenggang Han et al.
STRUCTURE (2015)
Mechanism and selectivity of the dinuclear iron benzoyl-coenzyme A epoxidase BoxB
Rong-Zhen Liao et al.
CHEMICAL SCIENCE (2015)
A Flexible Glutamine Regulates the Catalytic Activity of Toluene o-Xylene Monooxygenase
Alexandria Deliz Liang et al.
BIOCHEMISTRY (2014)
Component Interactions and Electron Transfer in Toluene/o-Xylene Monooxygenase
Alexandria Deliz Liang et al.
BIOCHEMISTRY (2014)
Quantum Chemical Studies of Mechanisms for Metalloenzymes
Margareta R. A. Blomberg et al.
CHEMICAL REVIEWS (2014)
Quantum Mechanics/Molecular Mechanics Study on the Oxygen Binding and Substrate Hydroxylation Step in AlkB Repair Enzymes
Matthew G. Quesne et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
Reactivity of the Binuclear Non-Heme Iron Active Site of Δ9 Desaturase Studied by Large-Scale Multireference Ab Initio Calculations
Jakub Chalupsky et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Theory Uncovers an Unusual Mechanism of DNA Repair of a Lesioned Adenine by AlkB Enzymes
Binju Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates
Laura M. van Staalduinen et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2014)
ChemShell-a modular software package for QM/MM simulations
Sebastian Metz et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)
Structure of a Dinuclear Iron Cluster-Containing β-Hydroxylase Active in Antibiotic Biosynthesis
Thomas M. Makris et al.
BIOCHEMISTRY (2013)
Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology
Marc W. van der Kamp et al.
BIOCHEMISTRY (2013)
Quantum Chemical Studies on Dioxygen Activation and Methane Hydroxylation by Diiron and Dicopper Species as well as Related Metal-Oxo Species
Kazunari Yoshizawa
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN (2013)
Convergence in the QM-Only and QM/MM Modeling of Enzymatic Reactions: A Case Study for Acetylene Hydratase
Rong-Zhen Liao et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
NBO 6.0: Natural bond orbital analysis program
Eric D. Glendening et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
Substrate-Triggered Addition of Dioxygen to the Diferrous Cofactor of Aldehyde-Deformylating Oxygenase to Form a Diferric-Peroxide Intermediate
Maria E. Pandelia et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
A 2.8 Å Fe-Fe Separation in the Fe2III/IV Intermediate, X, from Escherichia coli Ribonucleotide Reductase
Laura M. K. Dassama et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases
Bigna Woersdoerfer et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)
Regioselectivity of substrate hydroxylation versus halogenation by a nonheme iron(IV)-oxo complex: possibility of rearrangement pathways
Matthew G. Quesne et al.
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY (2012)
Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-Dependent Acetylene Hydratase
Rong-Zhen Liao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Retaining Glycosyltransferase Mechanism Studied by QM/MM Methods: Lipopolysaccharyl-α-1,4-galactosyltransferase C Transfers α-Galactose via an Oxocarbenium Ion-like Transition State
Hansel Gomez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
PhnY and PhnZ Comprise a New Oxidative Pathway for Enzymatic Cleavage of a Carbon-Phosphorus Bond
Fern R. McSorley et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Mechanistic Studies of Reactions of Peroxodiiron(III) Intermediates in T201 Variants of Toluene/o-Xylene Monooxygenase Hydroxylase
Woon Ju Song et al.
BIOCHEMISTRY (2011)
Multiple Roles of Component Proteins in Bacterial Multicomponent Monooxygenases: Phenol Hydroxylase and Toluene/o-Xylene Monooxygenase from Pseudomonas sp OX1
Christine E. Tinberg et al.
BIOCHEMISTRY (2011)
PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions
Mats H. M. Olsson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Insights into the Different Dioxygen Activation Pathways of Methane and Toluene Monooxygenase Hydroxylases
Arteum D. Bochevarov et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase
Woon Ju Song et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
QM/MM Methods for Biomolecular Systems
Hans Martin Senn et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Crystallographic and Catalytic Studies of the Peroxide-Shunt Reaction in a Diiron Hydroxylase
Lucas J. Bailey et al.
BIOCHEMISTRY (2009)
DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations
Johannes Kaestner et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
Aleksandr V. Marenich et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
A Long-Lived, Substrate-Hydroxylating Peroxodiiron(III/III) Intermediate in the Amine Oxygenase, AurF, from Streptomyces thioluteus
Victoria Korneeva Korboukh et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Peroxo-Type Intermediates in Class I Ribonucleotide Reductase and Related Binuclear Non-Heme Iron Enzymes
Kasper P. Jensen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Insights into the (Superoxo)Fe(III)Fe(III) Intermediate and Reaction Mechanism of myo-Inositol Oxygenase: DFT and ONIOM(DFT:MM) Study
Hajime Hirao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methods
Hao Hu et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2008)
QM/MM Modeling of Benzene Hydroxylation in Human Cytochrome P450 2C9
Christine M. Bathelt et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
On the origin of the stabilization of the zwitterionic resting state of cysteine proteases: A theoretical study
Milena Mladenovic et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Geometric and electronic structure studies of the binuclear nonheme ferrous active site of Toluene-4-monooxygenase:: Parallels with methane monooxygenase and insight into the role of the effector proteins in O2 activation
Jennifer K. Schwartz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis
Yoo Seong Choi et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Structural consequences of effector protein complex formation in a diiron hydroxylase
Lucas J. Bailey et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Dioxygen activation at non-heme diiron centers:: Oxidation of a proximal residue in the I100W variant of toluene/o-xylene monooxygenase hydroxylase
Leslie J. Murray et al.
BIOCHEMISTRY (2007)
Characterization of the arene-oxidizing intermediate in ToMOH as a diiron(III) species
Leslie J. Murray et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
X-ray crystal structures of manganese(II)-reconstituted and native toluene/o-xylene monooxygenase hydroxylase reveal rotamer shifts in conserved residues and an enhanced view of the protein interior
Michael S. McCormick et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Dioxygen activation at non-heme diiron centers:: Characterization of intermediates in a mutant form of toluene/o-xylene monooxygenase hydroxylase
Leslie J. Murray et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
A coupled dinuclear iron cluster that is perturbed by substrate binding in myo-inositol oxygenase
G Xing et al.
BIOCHEMISTRY (2006)
Evidence for C-H cleavage by an iron-superoxide complex in the glycol cleavage reaction catalyzed by myo-inositol oxygenase
G Xing et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Balancing solvation and intramolecular interactions: Toward a consistent generalized born force field
JH Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Regiospecificity of two multicomponent monooxygenases from Pseudomonas stutzeri OX1:: Molecular basis for catabolic adaptation of this microorganism to methylated aromatic compounds
V Cafaro et al.
APPLIED AND ENVIRONMENTAL MICROBIOLOGY (2005)
X-ray, absorption spectroscopic study of the reduced hydroxylases of methane monooxygenase and toluene/o-xylene monooxygenase:: Differences in active site structure and effects of the coupling proteins MMOB and ToMOD
DJ Rudd et al.
INORGANIC CHEMISTRY (2005)
Analysis of electrostatics and correlated motions for hydride transfer in dihydrofolate reductase
KF Wong et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Crystal structure of the toluene/o-xylene monooxygenase hydroxylase from Pseudomonas stutzeri OX1 -: Insight into the substrate specificity, substrate channeling, and active site tuning of multicomponent monooxygenases
MH Sazinsky et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2004)
Reactions of the diiron enzyme stearoyl-acyl carrier protein desaturase
BG Fox et al.
ACCOUNTS OF CHEMICAL RESEARCH (2004)
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
VN Staroverov et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids
JM Tao et al.
PHYSICAL REVIEW LETTERS (2003)
QUASI:: A general purpose implementation of the QM/MM approach and its application to problems in catalysis
P Sherwood et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2003)
A proton-shuttle mechanism mediated by the porphyrin in benzene hydroxylation by cytochrome P450 enzymes
SP de Visser et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Mechanistic studies on the hydroxylation of methane by methane monooxygenase
MH Baik et al.
CHEMICAL REVIEWS (2003)
Insight into the mechanism of aromatic hydroxylation by toluene 4-monooxygenase by use of specifically deuterated toluene and p-xylene
KH Mitchell et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)
Combined participation of hydroxylase active site residues and effector protein binding in a para to ortho modulation of toluene 4-monooxygenase regiospecificity
KH Mitchell et al.
BIOCHEMISTRY (2002)
A comparison of dioxygen bond-cleavage in ribonucleotide reductase (RNR) and methane monooxygenase (MMO)
PEM Siegbahn
CHEMICAL PHYSICS LETTERS (2002)
O-O bond cleavage and alkane hydroxylation in methane monooxygenase
PEM Siegbahn
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY (2001)
Optimized expression and purification of toluene 4-monooxygenase hydroxylase
JM Studts et al.
PROTEIN EXPRESSION AND PURIFICATION (2000)
Geometric and electronic structure/function correlations in non-heme iron enzymes
EI Solomon et al.
CHEMICAL REVIEWS (2000)
Share Paper
