Lista de obras - Carme Rovira - Dominio Público Uruguay

1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor

artículo científico publicado en 2017

A First-Principles Computation of the Low-Energy Polymorphic Forms of the Acetic Acid Crystal. A Test of the Atom−Atom Force Field Predictions

A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides

A Single Point Mutation Converts GH84 O-GlcNAc Hydrolases into Phosphorylases: Experimental and Theoretical Evidence

artículo científico publicado en 2020

A Trapped Covalent Intermediate of a Glycoside Hydrolase on the Pathway to Transglycosylation. Insights from Experiments and Quantum Mechanics/Molecular Mechanics Simulations

artículo científico publicado en 2016

A first principles study of the binding of formic acid in catalase complementing high resolution X-ray structures

A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase.

artículo científico publicado en 2017

A neutral zwitterionic molecular solid.

artículo científico publicado en 2010

A β-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism

artículo científico publicado en 2016

Aldo-keto reductases from the AKR1B subfamily: retinoid specificity and control of cellular retinoic acid levels

scientific article published on 25 October 2008

Ammonium recruitment and ammonia transport by E. coli ammonia channel AmtB

artículo científico publicado en 2006

An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-α-mannanase inhibitor

artículo científico publicado en 2017

Analysis of the reaction coordinate of alpha-L-fucosidases: a combined structural and quantum mechanical approach

artículo científico publicado en 2010

Binding of azole drugs to heme: A combined MS/MS and computational approach

Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation

artículo científico publicado en 2014

Calcium-based functionalization of carbon nanostructures for peptide immobilization in aqueous media

Can an Alcohol Act As an Acid/Base Catalyst in Water Solution? An Experimental and Theoretical Study of Imidazole Catalysis of the Aqueous Morita–Baylis–Hillman Reaction

Car-Parrinello Simulations of Chemical Reactions in Proteins

scholarly article published 2014

Carba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors.

artículo científico publicado en 2017

Catalases versus peroxidases: DFT investigation of H2O2 oxidation in models systems and implications for heme protein engineering

artículo científico publicado en 2012

Catalytic Itinerary in 1,3-1,4-β-Glucanase Unraveled by QM/MM Metadynamics. Charge Is Not Yet Fully Developed at the Oxocarbenium Ion-like Transition State

artículo científico publicado en 2011

Characterisation of the Fermi surface and phase transitions of (BEDO-TTF)2 ReO4�(H2O) by physical property measurements and electronic band structure calculations

Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate

artículo científico publicado en 2014

Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 α-Mannosidases

artículo científico publicado en 2016

Computational Studies of Glycoside, Carboxylic Ester, and Thioester Hydrolase Mechanisms: A Review

article

Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach

artículo científico publicado en 2017

Conformational analyses of the reaction coordinate of glycosidases

artículo científico publicado el 16 de septiembre de 2011

Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-α-1,2-Mannanase

artículo científico publicado en 2017

Corrigendum: Evidence for a Boat Conformation at the Transition State of GH76 α-1,6-Mannanases-Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism

artículo científico publicado en 2016

Deciphering the enzymatic mechanism of sugar ring contraction in UDP-apiose biosynthesis

scientific article published on 01 November 2019

Density Functional Study of17O NMR Chemical Shift and Nuclear Quadrupole Coupling Tensors in Oxyheme Model Complexes

Density-functional molecular dynamics studies of biologically relevant iron and cobalt complexes with macrocyclic ligands

scholarly article by Ivan Degtyarenko et al published July 2008 in Coordination Chemistry Reviews

Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site

artículo científico publicado en 2019

Do Thiols Merely Passivate Gold Nanoclusters?

artículo científico publicado en 2000

Dynamic interplay between catalytic and lectin domains of GalNAc-transferases modulates protein O-glycosylation.

artículo científico publicado en 2015

Electronic State of the Molecular Oxygen Released by Catalase†

artículo científico publicado en 2008

Electronic Structure and Charge Transfer in the Ternary Intercalated Graphite β-KS0.25C3

artículo científico publicado en 2006

Electronic properties of the organic superconductor (BEDO-TTF)2ReO4(H2O)

scholarly article by S. Kahlich et al published March 1995 in Synthetic Metals

Enantioselective Preparation of δ-Valerolactones with Horse Liver Alcohol Dehydrogenase

Enzymatic Cleavage of Glycosidic Bonds: Strategies on How to Set Up and Control a QM/MM Metadynamics Simulation

artículo científico publicado en 2016

Equilibrium Geometries and Electronic Structure of Iron−Porphyrin Complexes: A Density Functional Study

Essential Role of Proximal Histidine-Asparagine Interaction in Mammalian Peroxidases

artículo científico publicado en 2009

Evidence for a boat conformation at the transition state of GH76 α-1,6-mannanases--key enzymes in bacterial and fungal mannoprotein metabolism

artículo científico publicado en 2015

Factors governing the charge density wave patterns of layered transition-metal compounds of octahedral coordination with d2 and d3 electron counts

Fenton-Derived OH Radicals Enable the MPnS Enzyme to Convert 2-Hydroxyethylphosphonate to Methylphosphonate: Insights from Ab Initio QM/MM MD Simulations

artículo científico publicado en 2019

First principles study of coenzyme B12. Crystal packing forces effect on axial bond lengths

artículo científico publicado en 2007

First-principles molecular dynamics simulations of models for the myoglobin active center

First-principles study of the neutral molecular metalNi(tmdt)2

scholarly article in Physical Review B, vol. 65 no. 8, February 2002

Formation of a covalent glycosyl-enzyme species in a retaining glycosyltransferase

artículo científico publicado en 2013

Glucose transport via the pseudomonad porin OprB: implications for the design of Trojan Horse anti-infectives

scientific article published on 01 April 2019

How do Water Solvent and Glutathione Ligands Affect the Structure and Electronic Properties of Au25(SR)18(-)?

artículo científico publicado en 2015

Human and rodent aldo–keto reductases from the AKR1B subfamily and their specificity with retinaldehyde ⬇️

artículo científico publicado el 15 de febrero de 2011

Hydrogen bonding and collective proton modes in clusters and periodic layers of squaric acid: A density functional study

Hydroxide and proton migration in aquaporins

artículo científico publicado en 2005

Interanionic ()O−H⋅⋅⋅O() Interactions: A Solid-State and Computational Study of the Ring and Chain Motifs

Interdependence of redox state, hydrogen bonding, anion recognition and charge partition in crystals of (EDT-TTF-CONHMe)6 [Re6Se8(CN)6] (CH3CN)2(CH2Cl2)2.

artículo científico publicado en 2003

Long distance electron transfer through the aqueous solution between redox partner proteins ⬇️

artículo científico publicado en 2018

Low temperature crystal and electronic band structure of the (BEDO–TTF)2Cl1.28(H3O)0.282.44H2O stable organic metal

Mechanism of cellulose hydrolysis by inverting GH8 endoglucanases: a QM/MM metadynamics study.

artículo científico publicado en 2009

Metal Complexes of Dithiolate Ligands: 5,6-Dihydro-1,4-dithiin-2,3-dithiolato (dddt2-), 5,7-Dihydro-1,4,6-trithiin-2,3-dithiolato (dtdt2-), and 2-Thioxo-1,3-dithiole-4,5-dithiolato (dmit2-). Synthesis, Electrochemical Studies, Crystal and Electronic

scientific article published on 01 June 1996

Modulation of Abeta42 fibrillogenesis by glycosaminoglycan structure

artículo científico publicado en 2010

Molecular Mechanisms of Oxygen Activation and Hydrogen Peroxide Formation in Lytic Polysaccharide Monooxygenases

artículo científico publicado en 2019

Molecular mechanism of a hotdog-fold acyl-CoA thioesterase

artículo científico publicado en 2014

Molecular mechanism of the glycosylation step catalyzed by Golgi alpha-mannosidase II: a QM/MM metadynamics investigation.

artículo científico publicado en 2010

Molecular-Scale Ligand Effects in Small Gold-Thiolate Nanoclusters

scientific article published on 30 October 2018

On the nature of the metal-insulator transition in β-(BEDT-TTF)4Pt(CN)4

On the role of water in peroxidase catalysis: a theoretical investigation of HRP compound I formation

artículo científico publicado en 2010

Optical Control of Enzyme Enantioselectivity in Solid Phase

Oxazoline or oxazolinium ion? the protonation state and conformation of the reaction intermediate of chitinase enzymes revisited

scientific article published on 29 November 2018

Oxygen Binding to Catalase-Peroxidase

Oxygen binding to iron-porphyrin: A density functional study using both LSD and LSD+GC schemes

Precise Probing of Residue Roles by Post-Translational β,γ-C,N Aza-Michael Mutagenesis in Enzyme Active Sites.

artículo científico publicado en 2017

Privateer: software for the conformational validation of carbohydrate structures

artículo científico publicado en 2015

Proton Transfer Drives Protein Radical Formation in Helicobacter pylori Catalase but Not in Penicillium vitale Catalase

artículo científico publicado en 2011

Protonated Heme

artículo científico publicado en 2007

Protonation state of the equatorial ligands and dynamics of the OH...O units in a cobaloxime biomimetic

artículo científico publicado en 2002

QM/MM Studies into the H2O2-Dependent Activity of Lytic Polysaccharide Monooxygenases: Evidence for the Formation of a Caged Hydroxyl Radical Intermediate

Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining α-l-Arabinofuranosidases

artículo científico publicado en 2020

Re-engineering specificity in 1,3-1, 4-β-glucanase to accept branched xyloglucan substrates

artículo científico publicado en 2011

Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular Mechanics Dynamic Simulations

artículo científico

Redesigning the Coumarin Scaffold into Small Bright Fluorophores with Far-Red to Near-Infrared Emission and Large Stokes Shifts Useful for Cell Imaging

artículo científico publicado en 2017

Retinaldehyde is a substrate for human aldo-keto reductases of the 1C subfamily

artículo científico publicado en 2011

Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations

scientific article published on 14 April 2011

Role of the His64 residue on the properties of the Fe–CO and Fe–O2 bonds in myoglobin. A CHARMM/DFT study

article published in 2003

Selective Derivatization of N-Terminal Cysteines Using Cyclopentenediones

artículo científico publicado en 2016

Sequential Uncaging with Green Light can be Achieved by Fine-Tuning the Structure of a Dicyanocoumarin Chromophore.

artículo científico publicado en 2017

Staple Motifs, Initial Steps in the Formation of Thiolate-Protected Gold Nanoparticles: How Do They Form?

artículo científico publicado en 2012

Strength and Directionality of the S⋅⋅⋅S Intermolecular Interactions Present in TTF-Based Molecular Crystals. A Combined Statistical and Ab Initio Study

Strength and directionality of the C(sp3)H⋯S(sp3) interaction. An ab initio study using the H2S⋯CH4 model complex

Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 β-D-mannosidase

artículo científico publicado en 2013

Structural and Electronic Properties of Co-corrole, Co-corrin, and Co-porphyrin

scientific article published on 01 January 2001

Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10

artículo científico publicado en 2007

Structure of Helicobacter pylori catalase, with and without formic acid bound, at 1.6 A resolution

artículo científico publicado en 2004

Structure, Protonation State and Dynamics of Catalase Compound II

article

Structure-energy relations in methylcobalamin with and without bound axial base

artículo científico publicado en 2004

Structures of the substrate-free and product-bound forms of HmuO, a heme oxygenase from corynebacterium diphtheriae: x-ray crystallography and molecular dynamics investigation

artículo científico publicado en 2013

Substrate conformational changes in glycoside hydrolase catalysis. A first-principles molecular dynamics study

article

Substrate distortion in the Michaelis complex of Bacillus 1,3-1,4-beta-glucanase. Insight from first principles molecular dynamics simulations

artículo científico publicado en 2005

Substrate recognition in the Escherichia coli ammonia channel AmtB: a QM/MM investigation.

artículo científico publicado en 2010

Substrate-guided front-face reaction revealed by combined structural snapshots and metadynamics for the polypeptide N-acetylgalactosaminyltransferase 2

artículo científico publicado en 2014

The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine

artículo científico publicado en 2017

The Effect of a Water Molecule on the Mechanism of Formation of Compound 0 in Horseradish Peroxidase

artículo científico publicado en 2007

The Iron−Sulfur Bond in Cytochromec

The Molecular Mechanism of Enzymatic Glycosyl Transfer with Retention of Configuration: Evidence for a Short-Lived Oxocarbenium-Like Species

article

The Molecular Mechanism of Substrate Recognition and Catalysis of the Membrane Acyltransferase PatA from Mycobacteria.

artículo científico publicado en 2017

The Molecular Mechanism of the Catalase-like Activity in Horseradish Peroxidase

artículo científico publicado en 2015

The Role of Hydrogen Bonds in the Stabilization of Silver-Mediated Cytosine Tetramers

artículo científico publicado en 2015

The complete conformational free energy landscape of β-xylose reveals a two-fold catalytic itinerary for β-xylanases.

artículo científico publicado en 2014

The conformational free energy landscape of beta-D-glucopyranose. Implications for substrate preactivation in beta-glucoside hydrolases

artículo científico publicado en 2007

The conformational free-energy landscape of β-D-mannopyranose: evidence for a (1)S(5) → B(2,5) → (O)S(2) catalytic itinerary in β-mannosidases

artículo científico publicado en 2010

The description of electronic processes inside proteins from Car-Parrinello molecular dynamics: chemical transformations

article by Carme Rovira published 3 May 2013 in Wiley Interdisciplinary Reviews: Computational Molecular Science

The dynamic role of distal side residues in heme hydroperoxidase catalysis. Interplay between X-ray crystallography and ab initio MD simulations

scientific article published on 04 May 2010

The molecular mechanism of the catalase reaction

artículo científico publicado en 2009

The molecular mechanism of the ligand exchange reaction of an antibody against a glutathione-coated gold cluster

artículo científico publicado en 2017

The reaction coordinate of a bacterial GH47 α-mannosidase: a combined quantum mechanical and structural approach

artículo científico publicado en 2012

The reaction mechanism of retaining glycosyltransferases

artículo científico publicado en 2016

The structure and dynamics of the Fe CO bond in myoglobin

article

The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM density functional theory calculations

artículo científico publicado en 2007

Theoretical study of the structure and vibrational spectra of the (H2O)2?HF and H2O?(HF)2 molecular complexes

article

Theory Uncovers the Role of the Methionine-Tyrosine-Tryptophan Radical Adduct in the Catalase Reaction of KatGs: O2 Release Mediated by Proton-Coupled Electron Transfer

artículo científico publicado en 2018

Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations

artículo científico publicado en 2021

Unravelling the intrinsic features of NO binding to iron(II)- and iron(III)-hemes

artículo científico publicado en 2008

Versatility of the Electronic Structure of Compound I in Catalase-Peroxidases

scientific article published on 10 October 2007

Lista de obras de Carme Rovira

1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor

A First-Principles Computation of the Low-Energy Polymorphic Forms of the Acetic Acid Crystal. A Test of the Atom−Atom Force Field Predictions

A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides

A Single Point Mutation Converts GH84 O-GlcNAc Hydrolases into Phosphorylases: Experimental and Theoretical Evidence

A Trapped Covalent Intermediate of a Glycoside Hydrolase on the Pathway to Transglycosylation. Insights from Experiments and Quantum Mechanics/Molecular Mechanics Simulations

A first principles study of the binding of formic acid in catalase complementing high resolution X-ray structures

A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase.

A neutral zwitterionic molecular solid.

A β-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism

Aldo-keto reductases from the AKR1B subfamily: retinoid specificity and control of cellular retinoic acid levels

Ammonium recruitment and ammonia transport by E. coli ammonia channel AmtB

An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-α-mannanase inhibitor

Analysis of the reaction coordinate of alpha-L-fucosidases: a combined structural and quantum mechanical approach

Binding of azole drugs to heme: A combined MS/MS and computational approach

Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation

Calcium-based functionalization of carbon nanostructures for peptide immobilization in aqueous media

Can an Alcohol Act As an Acid/Base Catalyst in Water Solution? An Experimental and Theoretical Study of Imidazole Catalysis of the Aqueous Morita–Baylis–Hillman Reaction

Car-Parrinello Simulations of Chemical Reactions in Proteins

Carba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors.

Catalases versus peroxidases: DFT investigation of H2O2 oxidation in models systems and implications for heme protein engineering

Catalytic Itinerary in 1,3-1,4-β-Glucanase Unraveled by QM/MM Metadynamics. Charge Is Not Yet Fully Developed at the Oxocarbenium Ion-like Transition State

Characterisation of the Fermi surface and phase transitions of (BEDO-TTF)2 ReO4�(H2O) by physical property measurements and electronic band structure calculations

Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate

Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 α-Mannosidases

Computational Studies of Glycoside, Carboxylic Ester, and Thioester Hydrolase Mechanisms: A Review

Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach

Conformational analyses of the reaction coordinate of glycosidases

Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-α-1,2-Mannanase

Corrigendum: Evidence for a Boat Conformation at the Transition State of GH76 α-1,6-Mannanases-Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism

Deciphering the enzymatic mechanism of sugar ring contraction in UDP-apiose biosynthesis

Density Functional Study of17O NMR Chemical Shift and Nuclear Quadrupole Coupling Tensors in Oxyheme Model Complexes

Density-functional molecular dynamics studies of biologically relevant iron and cobalt complexes with macrocyclic ligands

Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site

Do Thiols Merely Passivate Gold Nanoclusters?

Dynamic interplay between catalytic and lectin domains of GalNAc-transferases modulates protein O-glycosylation.

Electronic State of the Molecular Oxygen Released by Catalase†

Electronic Structure and Charge Transfer in the Ternary Intercalated Graphite β-KS0.25C3

Electronic properties of the organic superconductor (BEDO-TTF)2ReO4(H2O)

Enantioselective Preparation of δ-Valerolactones with Horse Liver Alcohol Dehydrogenase

Enzymatic Cleavage of Glycosidic Bonds: Strategies on How to Set Up and Control a QM/MM Metadynamics Simulation

Equilibrium Geometries and Electronic Structure of Iron−Porphyrin Complexes: A Density Functional Study

Essential Role of Proximal Histidine-Asparagine Interaction in Mammalian Peroxidases

Evidence for a boat conformation at the transition state of GH76 α-1,6-mannanases--key enzymes in bacterial and fungal mannoprotein metabolism

Factors governing the charge density wave patterns of layered transition-metal compounds of octahedral coordination with d2 and d3 electron counts

Fenton-Derived OH Radicals Enable the MPnS Enzyme to Convert 2-Hydroxyethylphosphonate to Methylphosphonate: Insights from Ab Initio QM/MM MD Simulations

First principles study of coenzyme B12. Crystal packing forces effect on axial bond lengths

First-principles molecular dynamics simulations of models for the myoglobin active center

First-principles study of the neutral molecular metalNi(tmdt)2

Formation of a covalent glycosyl-enzyme species in a retaining glycosyltransferase

Glucose transport via the pseudomonad porin OprB: implications for the design of Trojan Horse anti-infectives

How do Water Solvent and Glutathione Ligands Affect the Structure and Electronic Properties of Au25(SR)18(-)?

Human and rodent aldo–keto reductases from the AKR1B subfamily and their specificity with retinaldehyde ⬇️

Hydrogen bonding and collective proton modes in clusters and periodic layers of squaric acid: A density functional study

Hydroxide and proton migration in aquaporins

Interanionic ()O−H⋅⋅⋅O() Interactions: A Solid-State and Computational Study of the Ring and Chain Motifs

Interdependence of redox state, hydrogen bonding, anion recognition and charge partition in crystals of (EDT-TTF-CONHMe)6 [Re6Se8(CN)6] (CH3CN)2(CH2Cl2)2.

Long distance electron transfer through the aqueous solution between redox partner proteins ⬇️

Low temperature crystal and electronic band structure of the (BEDO–TTF)2Cl1.28(H3O)0.282.44H2O stable organic metal

Mechanism of cellulose hydrolysis by inverting GH8 endoglucanases: a QM/MM metadynamics study.

Metal Complexes of Dithiolate Ligands: 5,6-Dihydro-1,4-dithiin-2,3-dithiolato (dddt2-), 5,7-Dihydro-1,4,6-trithiin-2,3-dithiolato (dtdt2-), and 2-Thioxo-1,3-dithiole-4,5-dithiolato (dmit2-). Synthesis, Electrochemical Studies, Crystal and Electronic

Modulation of Abeta42 fibrillogenesis by glycosaminoglycan structure

Molecular Mechanisms of Oxygen Activation and Hydrogen Peroxide Formation in Lytic Polysaccharide Monooxygenases

Molecular mechanism of a hotdog-fold acyl-CoA thioesterase

Molecular mechanism of the glycosylation step catalyzed by Golgi alpha-mannosidase II: a QM/MM metadynamics investigation.

Molecular-Scale Ligand Effects in Small Gold-Thiolate Nanoclusters

On the nature of the metal-insulator transition in β-(BEDT-TTF)4Pt(CN)4

On the role of water in peroxidase catalysis: a theoretical investigation of HRP compound I formation

Optical Control of Enzyme Enantioselectivity in Solid Phase

Oxazoline or oxazolinium ion? the protonation state and conformation of the reaction intermediate of chitinase enzymes revisited

Oxygen Binding to Catalase-Peroxidase

Oxygen binding to iron-porphyrin: A density functional study using both LSD and LSD+GC schemes

Precise Probing of Residue Roles by Post-Translational β,γ-C,N Aza-Michael Mutagenesis in Enzyme Active Sites.

Privateer: software for the conformational validation of carbohydrate structures

Proton Transfer Drives Protein Radical Formation in Helicobacter pylori Catalase but Not in Penicillium vitale Catalase

Protonated Heme

Protonation state of the equatorial ligands and dynamics of the OH...O units in a cobaloxime biomimetic

QM/MM Studies into the H2O2-Dependent Activity of Lytic Polysaccharide Monooxygenases: Evidence for the Formation of a Caged Hydroxyl Radical Intermediate

Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining α-l-Arabinofuranosidases

Re-engineering specificity in 1,3-1, 4-β-glucanase to accept branched xyloglucan substrates