Lista de obras - Tomasz Borowski - Dominio Público Uruguay

4-Hydroxyphenylpyruvate dioxygenase: a hybrid density functional study of the catalytic reaction mechanism.

artículo científico publicado en 2004

A comparison of the reaction mechanisms of iron- and manganese-containing 2,3-HPCD: an important spin transition for manganese.

artículo científico publicado en 2008

A hybrid density functional study of O-O bond cleavage and phenyl ring hydroxylation for a biomimetic non-heme iron complex.

artículo científico publicado en 2004

A single amino acid substitution within catalytically non-active N-terminal domain of catechol 2,3-dioxygenase (C23O) increases enzyme activity towards 4-chlorocatechol

A study on the structure, mechanism and biochemistry of kanamycin B dioxygenase (KanJ) - an enzyme with a broad range of substrates

artículo científico publicado en 2020

Ab initio modeling of ethylbenzene dehydrogenase reaction mechanism

artículo científico publicado en 2010

Anion Effects in Oxidative Aliphatic Carbon-Carbon Bond Cleavage Reactions of Cu(II) Chlorodiketonate Complexes

artículo científico publicado en 2016

Catalytic Reaction Mechanism of Lipoxygenase. A Density Functional Theory Study

artículo científico publicado en 2003

Catalytic Reaction Mechanism of Oxalate Oxidase (Germin). A Hybrid DFT Study

artículo científico publicado en 2005

Catalytic reaction mechanism of homogentisate dioxygenase: a hybrid DFT study

artículo científico publicado en 2005

Chapter 4. Density Functional Theory Studies on Non-heme Iron Enzymes

Characteristics of the ligand-binding site interaction for a series of arecoline-derived muscarinic agonists: a quantum chemical study

scientific article published on 01 May 2000

Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus

scientific article published on 24 September 2020

Comparison of QM-only and QM/MM models for the mechanism of tyrosinase

artículo científico publicado en 2011

Comparison of different approaches to derive classical bonded force-field parameters for a transition metal cofactor: a case study for non-heme iron site of ectoine synthase

artículo científico publicado en 2021

Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.

artículo científico publicado en 2018

Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity

artículo científico publicado en 2007

DFT study of the mechanism of manganese quercetin 2,3-dioxygenase: quest for origins of enzyme unique nitroxygenase activity and regioselectivity.

artículo científico publicado en 2016

DFT study of the uncatalyzed dioxygenation of acireductone

DFT study on the catalytic reactivity of a functional model complex for intradiol-cleaving dioxygenases.

artículo científico publicado en 2010

Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding

scientific article published on 16 December 2018

Enhanced Pru p 3 IgE-binding activity by selective free fatty acid-interaction.

artículo científico publicado en 2017

Enzymatic Δ 1 -Dehydrogenation of 3-Ketosteroids—Reconciliation of Kinetic Isotope Effects with the Reaction Mechanism

artículo científico publicado en 2021

Enzyme multifunctionality via control of substrate positioning within the catalytic cycle - a QM/MM study for clavaminic acid synthase

artículo científico publicado en 2020

Epimerization and desaturation by carbapenem synthase (CarC). A hybrid DFT study

artículo científico publicado en 2006

Ethylene biosynthesis by 1-aminocyclopropane-1-carboxylic acid oxidase: a DFT study

artículo científico publicado en 2006

First Principle Calculations for the Non-Heme Iron Centers of Lipoxygenases: Geometrical and Spectral Properties

First-principle calculations for the active centers in vanadium-containing chloroperoxidase and its functional models: Geometrical and spectral properties

Force-field parametrization and molecular dynamics simulations of Congo red.

artículo científico publicado en 2004

Frontispiece: Properties of the Reactants and Their Interactions within and with the Enzyme Binding Cavity Determine Reaction Selectivities. The Case of Fe(II)/2‐Oxoglutarate Dependent Enzymes

artículo científico publicado en 2022

Group Transfer to an Aliphatic Bond: A Biomimetic Study Inspired by Nonheme Iron Halogenases

Halide-promoted dioxygenolysis of a carbon-carbon bond by a copper(II) diketonate complex

artículo científico publicado en 2014

Impact of lipid binding on the tertiary structure and allergenic potential of Jug r 3, the non-specific lipid transfer protein from walnut

artículo científico publicado en 2019

It takes two to tango - The case of thebaine 6-O-demethylase

artículo científico publicado en 2020

Mechanism for catechol ring cleavage by non-heme iron intradiol dioxygenases: a hybrid DFT study.

artículo científico publicado en 2006

Mechanism for cyclization reaction by clavaminic acid synthase. Insights from modeling studies.

artículo científico publicado en 2007

Mechanism of Sulfate Activation Catalyzed by ATP Sulfurylase - Magnesium Inhibits the Activity

scientific article published on 18 June 2019

Mechanism of benzylic hydroxylation by 4-hydroxymandelate synthase. A computational study

artículo científico publicado en 2012

Mechanism of dioxygen activation in 2-oxoglutarate-dependent enzymes: a hybrid DFT study.

artículo científico publicado en 2004

Mechanism of selective halogenation by SyrB2: a computational study.

artículo científico publicado en 2010

Mechanistic Studies of the O2-Dependent Aliphatic Carbon−Carbon Bond Cleavage Reaction of a Nickel Enolate Complex

artículo científico publicado en 2011

Mechanistic basis for the enantioselectivity of the anaerobic hydroxylation of alkylaromatic compounds by ethylbenzene dehydrogenase

artículo científico publicado en 2014

Mechanistic studies of visible light-induced CO release from a 3-hydroxybenzo[]quinolone

artículo científico publicado en 2022

Modeling enzymatic reactions involving transition metals

scientific article published on 01 October 2006

On how the binding cavity of AsqJ dioxygenase controls the desaturation reaction regioselectivity: a QM/MM study.

artículo científico publicado en 2018

On structure and reaction mechanism of human acireductone dioxygenase.

artículo científico publicado en 2017

On the catalytic mechanism of (S)-2-hydroxypropylphosphonic acid epoxidase (HppE): a hybrid DFT study.

artículo científico publicado en 2012

On the observation of a gem diol intermediate after O-O bond cleavage by extradiol dioxygenases. A hybrid DFT study

artículo científico publicado en 2010

On the reaction mechanism of an endoperoxide ring formation by fumitremorgin B endoperoxidase. The right arrangement makes a difference

scientific article published on 03 October 2019

Oxoferryl species in mononuclear non-heme iron enzymes: Biosynthesis, properties and reactivity from a theoretical perspective

artículo científico publicado en 2013

Oxygen Activation by Rieske Non-Heme Iron Oxygenases, a Theoretical Insight

artículo científico publicado en 2004

Properties of the Reactants and Their Interactions within and with the Enzyme Binding Cavity Determine Reaction Selectivities. The Case of Fe(II)/2‐Oxoglutarate Dependent Enzymes

artículo científico publicado en 2022

Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs.

artículo científico

Quantum chemical modeling studies of ethylbenzene dehydrogenase activity

artículo científico publicado en 2011

Quantum chemical studies of dioxygen activation by mononuclear non-heme iron enzymes with the 2-His-1-carboxylate facial triad.

artículo científico publicado en 2004

Quantum chemical studies of mechanisms for metalloenzymes.

artículo científico publicado en 2014

Reaction mechanism between Cu(II)-enolate complex and O2 as a test case for methodology used in DFT computational studies

scientific article published on 24 April 2019

Reaction mechanism catalyzed by the dissimilatory Adenosine 5'-Phosphosulfate Reductase. Adenosine 5'-monophosphate inhibitor and key role of Arginine 317 in switching the course of catalysis

scientific article published on 29 October 2020

Reaction mechanism of apocarotenoid oxygenase (ACO): a DFT study.

artículo científico publicado en 2008

Regioselectivity of hyoscyamine 6β-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations

scientific article published on 01 April 2020

Role of substrate positioning in the catalytic reaction of 4-hydroxyphenylpyruvate dioxygenase-A QM/MM Study.

artículo científico publicado en 2014

Structural and Functional Characterization of the Hazelnut Allergen Cor a 8

artículo científico publicado en 2015

Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch

artículo científico publicado en 2018

Substitution of histidine 30 by asparagine in manganese superoxide dismutase alters biophysical properties and supports proliferation in a K562 leukemia cell line

artículo científico publicado en 2021

Synthesis and the crystal structure of dimeric 1-hydroxyhexane-2,3-dione and the spectral characteristics of a model acireductone

artículo científico publicado en 2016

The alkenyl migration mechanism catalyzed by extradiol dioxygenases: a hybrid DFT study

artículo científico publicado en 2012

The mechanism of the reaction of intradiol dioxygenase with hydroperoxy probe

artículo científico publicado en 2011

The reaction mechanism of chiral hydroxylation of p -OH and p -NH 2 substituted compounds by ethylbenzene dehydrogenase

artículo científico publicado en 2013

Theoretical studies of enzyme mechanisms involving high-valent iron intermediates.

artículo científico publicado en 2006

Theoretical study of the catalytic reaction mechanism of MndD.

artículo científico publicado en 2006

Time-dependent DFT study on electronic states of vanadium and molybdenum oxide molecules

artículo científico publicado en 2001

Lista de obras de Tomasz Borowski

4-Hydroxyphenylpyruvate dioxygenase: a hybrid density functional study of the catalytic reaction mechanism.

A comparison of the reaction mechanisms of iron- and manganese-containing 2,3-HPCD: an important spin transition for manganese.

A hybrid density functional study of O-O bond cleavage and phenyl ring hydroxylation for a biomimetic non-heme iron complex.

A single amino acid substitution within catalytically non-active N-terminal domain of catechol 2,3-dioxygenase (C23O) increases enzyme activity towards 4-chlorocatechol

A study on the structure, mechanism and biochemistry of kanamycin B dioxygenase (KanJ) - an enzyme with a broad range of substrates

Ab initio modeling of ethylbenzene dehydrogenase reaction mechanism

Anion Effects in Oxidative Aliphatic Carbon-Carbon Bond Cleavage Reactions of Cu(II) Chlorodiketonate Complexes

Catalytic Reaction Mechanism of Lipoxygenase. A Density Functional Theory Study

Catalytic Reaction Mechanism of Oxalate Oxidase (Germin). A Hybrid DFT Study

Catalytic reaction mechanism of homogentisate dioxygenase: a hybrid DFT study

Chapter 4. Density Functional Theory Studies on Non-heme Iron Enzymes

Characteristics of the ligand-binding site interaction for a series of arecoline-derived muscarinic agonists: a quantum chemical study

Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus

Comparison of QM-only and QM/MM models for the mechanism of tyrosinase

Comparison of different approaches to derive classical bonded force-field parameters for a transition metal cofactor: a case study for non-heme iron site of ectoine synthase

Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.

Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity

DFT study of the mechanism of manganese quercetin 2,3-dioxygenase: quest for origins of enzyme unique nitroxygenase activity and regioselectivity.

DFT study of the uncatalyzed dioxygenation of acireductone

DFT study on the catalytic reactivity of a functional model complex for intradiol-cleaving dioxygenases.

Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding

Enhanced Pru p 3 IgE-binding activity by selective free fatty acid-interaction.

Enzymatic Δ 1 -Dehydrogenation of 3-Ketosteroids—Reconciliation of Kinetic Isotope Effects with the Reaction Mechanism

Enzyme multifunctionality via control of substrate positioning within the catalytic cycle - a QM/MM study for clavaminic acid synthase

Epimerization and desaturation by carbapenem synthase (CarC). A hybrid DFT study

Ethylene biosynthesis by 1-aminocyclopropane-1-carboxylic acid oxidase: a DFT study

First Principle Calculations for the Non-Heme Iron Centers of Lipoxygenases: Geometrical and Spectral Properties

First-principle calculations for the active centers in vanadium-containing chloroperoxidase and its functional models: Geometrical and spectral properties

Force-field parametrization and molecular dynamics simulations of Congo red.

Frontispiece: Properties of the Reactants and Their Interactions within and with the Enzyme Binding Cavity Determine Reaction Selectivities. The Case of Fe(II)/2‐Oxoglutarate Dependent Enzymes

Group Transfer to an Aliphatic Bond: A Biomimetic Study Inspired by Nonheme Iron Halogenases

Halide-promoted dioxygenolysis of a carbon-carbon bond by a copper(II) diketonate complex

Impact of lipid binding on the tertiary structure and allergenic potential of Jug r 3, the non-specific lipid transfer protein from walnut

It takes two to tango - The case of thebaine 6-O-demethylase

Mechanism for catechol ring cleavage by non-heme iron intradiol dioxygenases: a hybrid DFT study.

Mechanism for cyclization reaction by clavaminic acid synthase. Insights from modeling studies.

Mechanism of Sulfate Activation Catalyzed by ATP Sulfurylase - Magnesium Inhibits the Activity

Mechanism of benzylic hydroxylation by 4-hydroxymandelate synthase. A computational study

Mechanism of dioxygen activation in 2-oxoglutarate-dependent enzymes: a hybrid DFT study.

Mechanism of selective halogenation by SyrB2: a computational study.

Mechanistic Studies of the O2-Dependent Aliphatic Carbon−Carbon Bond Cleavage Reaction of a Nickel Enolate Complex

Mechanistic basis for the enantioselectivity of the anaerobic hydroxylation of alkylaromatic compounds by ethylbenzene dehydrogenase

Mechanistic studies of visible light-induced CO release from a 3-hydroxybenzo[]quinolone

Modeling enzymatic reactions involving transition metals

On how the binding cavity of AsqJ dioxygenase controls the desaturation reaction regioselectivity: a QM/MM study.

On structure and reaction mechanism of human acireductone dioxygenase.

On the catalytic mechanism of (S)-2-hydroxypropylphosphonic acid epoxidase (HppE): a hybrid DFT study.

On the observation of a gem diol intermediate after O-O bond cleavage by extradiol dioxygenases. A hybrid DFT study

On the reaction mechanism of an endoperoxide ring formation by fumitremorgin B endoperoxidase. The right arrangement makes a difference

Oxoferryl species in mononuclear non-heme iron enzymes: Biosynthesis, properties and reactivity from a theoretical perspective

Oxygen Activation by Rieske Non-Heme Iron Oxygenases, a Theoretical Insight

Properties of the Reactants and Their Interactions within and with the Enzyme Binding Cavity Determine Reaction Selectivities. The Case of Fe(II)/2‐Oxoglutarate Dependent Enzymes

Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs.

Quantum chemical modeling studies of ethylbenzene dehydrogenase activity

Quantum chemical studies of dioxygen activation by mononuclear non-heme iron enzymes with the 2-His-1-carboxylate facial triad.

Quantum chemical studies of mechanisms for metalloenzymes.

Reaction mechanism between Cu(II)-enolate complex and O2 as a test case for methodology used in DFT computational studies

Reaction mechanism catalyzed by the dissimilatory Adenosine 5'-Phosphosulfate Reductase. Adenosine 5'-monophosphate inhibitor and key role of Arginine 317 in switching the course of catalysis

Reaction mechanism of apocarotenoid oxygenase (ACO): a DFT study.

Regioselectivity of hyoscyamine 6β-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations

Role of substrate positioning in the catalytic reaction of 4-hydroxyphenylpyruvate dioxygenase-A QM/MM Study.

Structural and Functional Characterization of the Hazelnut Allergen Cor a 8

Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch

Substitution of histidine 30 by asparagine in manganese superoxide dismutase alters biophysical properties and supports proliferation in a K562 leukemia cell line

Synthesis and the crystal structure of dimeric 1-hydroxyhexane-2,3-dione and the spectral characteristics of a model acireductone

The alkenyl migration mechanism catalyzed by extradiol dioxygenases: a hybrid DFT study

The mechanism of the reaction of intradiol dioxygenase with hydroperoxy probe

The reaction mechanism of chiral hydroxylation of p -OH and p -NH 2 substituted compounds by ethylbenzene dehydrogenase

Theoretical studies of enzyme mechanisms involving high-valent iron intermediates.

Theoretical study of the catalytic reaction mechanism of MndD.

Time-dependent DFT study on electronic states of vanadium and molybdenum oxide molecules