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Predicting the Electronic Absorption Band Shape of Azobenzene Photoswitches

International journal of molecular sciences, 2022-12, Vol.24 (1), p.25

2022

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Synthetic Photoswitchable Neurotransmitters Based on Bridged Azobenzenes

Organic letters, 2019-05, Vol.21 (10), p.3780-3784

2019

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Scabies outbreak during home confinement due to the SARS‐CoV‐2 pandemic

Journal of the European Academy of Dermatology and Venereology, 2020-12, Vol.34 (12), p.e781-e783

2020

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Deciphering the grounds of the suitability of acylhydrazones as efficient photoswitches

Physical chemistry chemical physics : PCCP, 2019-08, Vol.21 (29), p.16075-16082

2019

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On the Computational Design of Azobenzene-Based Multi-State Photoswitches

International journal of molecular sciences, 2022-08, Vol.23 (15), p.8690

2022

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Estimate of the total costs of allergic rhinitis in specialized care based on real‐world data: the FERIN Study

Allergy (Copenhagen), 2017-06, Vol.72 (6), p.959-966

2017

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Rationally designed azobenzene photoswitches for efficient two-photon neuronal excitation

Nature communications, 2019-02, Vol.10 (1), p.907-907, Article 907

2019

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Accounting for the instantaneous disorder in the enzyme-substrate Michaelis complex to calculate the Gibbs free energy barrier of an enzyme reaction

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (23), p.1342-1354

2021

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Retaining Glycosyltransferase Mechanism Studied by QM/MM Methods: Lipopolysaccharyl-α-1,4-galactosyltransferase C Transfers α-Galactose via an Oxocarbenium Ion-like Transition State

Journal of the American Chemical Society, 2012-03, Vol.134 (10), p.4743-4752

2012

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Understanding the Mechanism of the Hydrogen Abstraction from Arachidonic Acid Catalyzed by the Human Enzyme 15-Lipoxygenase-2. A Quantum Mechanics/Molecular Mechanics Free Energy Simulation

Journal of chemical theory and computation, 2016-04, Vol.12 (4), p.2079-2090

2016

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Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono‑, Bi‑, and Triphotonic Absorption Spectroscopies

ACS omega, 2024-10, Vol.9 (40), p.41968-41977

2024

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N‑Substituted 5‑(1H‑Indol-2-yl)-2-methoxyanilines Are Allosteric Inhibitors of the Linoleate Oxygenase Activity of Selected Mammalian ALOX15 Orthologs: Mechanism of Action

Journal of medicinal chemistry, 2022-02, Vol.65 (3), p.1979-1995

2022

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Theoretical Study of the Arachidonic Acid Conversion into Leukotriene A4 Catalyzed by Human 5‑Lipoxygenase: Hydroperoxidation and Epoxidation Mechanisms and Arachidonic Acid Active Site Access

ACS catalysis, 2024-01, Vol.14 (2), p.637-656

2024

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Deciphering the Molecular Details of the Lipoxin Formation Mechanism in the 5(S),15(S)‑DiHpETE Biosynthetic Pathway Catalyzed by Reticulocyte 15-Lipoxygenase‑1

The journal of physical chemistry. B, 2020-12, Vol.124 (50), p.11406-11418

2020

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Hydroperoxidation of Docosahexaenoic Acid by Human ALOX12 and pigALOX15-mini-LOX

International journal of molecular sciences, 2023-03, Vol.24 (7), p.6064

2023

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Position paper on nasal obstruction: evaluation and treatment

Journal of investigational allergology & clinical immunology, 2018-01, Vol.28 (2), p.67-90

2018

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A protocol to obtain multidimensional quantum tunneling corrections derived from QM(DFT)/MM calculations for an enzyme reaction

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (46), p.27385-27393

2020

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Are There Really Low-Barrier Hydrogen Bonds in Proteins? The Case of Photoactive Yellow Protein

Journal of the American Chemical Society, 2014-03, Vol.136 (9), p.3542-3552

2014

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A theoretical study of the photochemistry of indigo in its neutral and dianionic (leucoindigo) forms

Physical chemistry chemical physics : PCCP, 2013-12, Vol.15 (46), p.20236-20246

2013

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Theoretical Characterization of the Step-by-Step Mechanism of Conversion of Leukotriene A4 to Leukotriene B4 Catalysed by the Enzyme Leukotriene A4 Hydrolase

International journal of molecular sciences, 2022-03, Vol.23 (6), p.3140

2022

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Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline

The Journal of chemical physics, 2008-12, Vol.129 (21), p.214308-214308-11

2008

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Substrate-Assisted and Nucleophilically Assisted Catalysis in Bovine α1,3-Galactosyltransferase. Mechanistic Implications for Retaining Glycosyltransferases

Journal of the American Chemical Society, 2013-05, Vol.135 (18), p.7053-7063

2013

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Functional Characterization of Mouse and Human Arachidonic Acid Lipoxygenase 15B (ALOX15B) Orthologs and of Their Mutants Exhibiting Humanized and Murinized Reaction Specificities

International journal of molecular sciences, 2023-06, Vol.24 (12), p.10046

2023

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Hypotrichosis simplex of the scalp and peeling skin disease, two sides of the same coin

Journal of the European Academy of Dermatology and Venereology, 2022-10, Vol.36 (10), p.e789-e790

2022

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Different Structures—Similar Effect: Do Substituted 5-(4-Methoxyphenyl)-1H-indoles and 5-(4-Methoxyphenyl)-1H-imidazoles Represent a Common Pharmacophore for Substrate Selective Inhibition of Linoleate Oxygenase Activity of ALOX15?

Molecules (Basel, Switzerland), 2023-07, Vol.28 (14), p.5418

2023

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Predicting the Electronic Absorption Band Shape of Azobenzene Photoswitches

Synthetic Photoswitchable Neurotransmitters Based on Bridged Azobenzenes

Scabies outbreak during home confinement due to the SARS‐CoV‐2 pandemic

Deciphering the grounds of the suitability of acylhydrazones as efficient photoswitches

On the Computational Design of Azobenzene-Based Multi-State Photoswitches

Estimate of the total costs of allergic rhinitis in specialized care based on real‐world data: the FERIN Study

Rationally designed azobenzene photoswitches for efficient two-photon neuronal excitation

Accounting for the instantaneous disorder in the enzyme-substrate Michaelis complex to calculate the Gibbs free energy barrier of an enzyme reaction

Retaining Glycosyltransferase Mechanism Studied by QM/MM Methods: Lipopolysaccharyl-α-1,4-galactosyltransferase C Transfers α-Galactose via an Oxocarbenium Ion-like Transition State

Understanding the Mechanism of the Hydrogen Abstraction from Arachidonic Acid Catalyzed by the Human Enzyme 15-Lipoxygenase-2. A Quantum Mechanics/Molecular Mechanics Free Energy Simulation

Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono‑, Bi‑, and Triphotonic Absorption Spectroscopies

N‑Substituted 5‑(1H‑Indol-2-yl)-2-methoxyanilines Are Allosteric Inhibitors of the Linoleate Oxygenase Activity of Selected Mammalian ALOX15 Orthologs: Mechanism of Action

Theoretical Study of the Arachidonic Acid Conversion into Leukotriene A4 Catalyzed by Human 5‑Lipoxygenase: Hydroperoxidation and Epoxidation Mechanisms and Arachidonic Acid Active Site Access

Deciphering the Molecular Details of the Lipoxin Formation Mechanism in the 5(S),15(S)‑DiHpETE Biosynthetic Pathway Catalyzed by Reticulocyte 15-Lipoxygenase‑1

Hydroperoxidation of Docosahexaenoic Acid by Human ALOX12 and pigALOX15-mini-LOX

Position paper on nasal obstruction: evaluation and treatment

A protocol to obtain multidimensional quantum tunneling corrections derived from QM(DFT)/MM calculations for an enzyme reaction

Are There Really Low-Barrier Hydrogen Bonds in Proteins? The Case of Photoactive Yellow Protein

A theoretical study of the photochemistry of indigo in its neutral and dianionic (leucoindigo) forms

Theoretical Characterization of the Step-by-Step Mechanism of Conversion of Leukotriene A4 to Leukotriene B4 Catalysed by the Enzyme Leukotriene A4 Hydrolase

Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline

Substrate-Assisted and Nucleophilically Assisted Catalysis in Bovine α1,3-Galactosyltransferase. Mechanistic Implications for Retaining Glycosyltransferases

Functional Characterization of Mouse and Human Arachidonic Acid Lipoxygenase 15B (ALOX15B) Orthologs and of Their Mutants Exhibiting Humanized and Murinized Reaction Specificities

Hypotrichosis simplex of the scalp and peeling skin disease, two sides of the same coin

Different Structures—Similar Effect: Do Substituted 5-(4-Methoxyphenyl)-1H-indoles and 5-(4-Methoxyphenyl)-1H-imidazoles Represent a Common Pharmacophore for Substrate Selective Inhibition of Linoleate Oxygenase Activity of ALOX15?

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