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When Galectins Recognize Glycans: From Biochemistry to Physiology and Back Again

Biochemistry (Easton), 2011-09, Vol.50 (37), p.7842-7857

2011

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The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter

Nature communications, 2023-11, Vol.14 (1), p.7325-7325, Article 7325

2023

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Inhibitory effect of quercetin on matrix metalloproteinase 9 activity Molecular mechanism and structure–activity relationship of the flavonoid–enzyme interaction

European journal of pharmacology, 2010-10, Vol.644 (1-3), p.138-145

2010

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Complete Reaction Mechanism of Indoleamine 2,3-Dioxygenase as Revealed by QM/MM Simulations

The journal of physical chemistry. B, 2012-02, Vol.116 (4), p.1401-1413

2012

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Evidence for a ferryl intermediate in a heme-based dioxygenase

Proceedings of the National Academy of Sciences - PNAS, 2009-10, Vol.106 (41), p.17371-17376

2009

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Molecular Basis for the Substrate Stereoselectivity in Tryptophan Dioxygenase

Biochemistry (Easton), 2011-12, Vol.50 (50), p.10910-10918

2011

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Mycobacterium tuberculosis DosS binds H2S through its Fe3+ heme iron to regulate the DosR dormancy regulon

Redox biology, 2022-06, Vol.52, p.102316-102316, Article 102316

2022

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Conformational States of 2′‑C‑Methylpyrimidine Nucleosides in Single and Double Nucleic Acid Stranded Structures

The journal of physical chemistry. B, 2013-01, Vol.117 (1), p.57-69

2013

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Role of PheE15 gate in ligand entry and nitric oxide detoxification function of mycobacterium tuberculosis truncated hemoglobin N

PloS one, 2012-11, Vol.7 (11), p.e49291

2012

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Following ligand migration pathways from picoseconds to milliseconds in type II truncated hemoglobin from Thermobifida fusca

PloS one, 2012-07, Vol.7 (7), p.e39884

2012

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3-Nitrotyrosine and related derivatives in proteins: precursors, radical intermediates and impact in function

Essays in biochemistry, 2020-02, Vol.64 (1), p.111-133

2020

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A Microscopic Study of the Deoxyhemoglobin-Catalyzed Generation of Nitric Oxide from Nitrite Anion

Biochemistry (Easton), 2008-09, Vol.47 (37), p.9793-9802

2008

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Substrate stereo-specificity in tryptophan dioxygenase and indoleamine 2,3-dioxygenase

Proteins, structure, function, and bioinformatics, 2010-11, Vol.78 (14), p.2961-2972

2010

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Acidity and nucleophilic reactivity of glutathione persulfide

The Journal of biological chemistry, 2020-11, Vol.295 (46), p.15466-15481

2020

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first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies

Journal of biological inorganic chemistry, 2010-08, Vol.15 (6), p.811-823

2010

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In Search of GABA A Receptor's Neurosteroid Binding Sites

Journal of medicinal chemistry, 2019-06, Vol.62 (11), p.5250

2019

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Role of Pre-A Motif in Nitric Oxide Scavenging by Truncated Hemoglobin, HbN, of Mycobacterium tuberculosis

The Journal of biological chemistry, 2009-05, Vol.284 (21), p.14457-14468

2009

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Nucleotide-dependent dynamics of the Dengue NS3 helicase

Biochimica et biophysica acta. Proteins and proteomics, 2020-08, Vol.1868 (8), p.140441, Article 140441

2020

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Mechanism of Peroxynitrite Interaction with Ferric M. tuberculosis Nitrobindin: A Computational Study

Inorganic chemistry, 2024-05, Vol.63 (21), p.9907-9918

2024

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In Search of GABAA Receptor's Neurosteroid Binding Sites

Journal of medicinal chemistry, 2019-06, Vol.62 (11), p.5250-5260

2019

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Unraveling the molecular basis for ligand binding in truncated hemoglobins: The trHbO Bacillus subtilis case

Proteins, structure, function, and bioinformatics, 2010-03, Vol.78 (4), p.962-970

2010

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Minimum Free Energy Pathways of Reactive Processes with Nudged Elastic Bands

Journal of chemical theory and computation, 2023-09, Vol.19 (18), p.6273-6293

2023

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Reactivity of Inorganic Sulfide Species toward a Heme Protein Model

Inorganic chemistry, 2015-01, Vol.54 (2), p.527-533

2015

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Modeling heme proteins using atomistic simulations

Physical chemistry chemical physics : PCCP, 2006-01, Vol.8 (48), p.5611-5628

2006

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Access and Binding of H2S to Hemeproteins: The Case of HbI of Lucina pectinata

The journal of physical chemistry. B, 2016-09, Vol.120 (36), p.9642-9653

2016

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When Galectins Recognize Glycans: From Biochemistry to Physiology and Back Again

The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter

Inhibitory effect of quercetin on matrix metalloproteinase 9 activity Molecular mechanism and structure–activity relationship of the flavonoid–enzyme interaction

Complete Reaction Mechanism of Indoleamine 2,3-Dioxygenase as Revealed by QM/MM Simulations

Evidence for a ferryl intermediate in a heme-based dioxygenase

Molecular Basis for the Substrate Stereoselectivity in Tryptophan Dioxygenase

Mycobacterium tuberculosis DosS binds H2S through its Fe3+ heme iron to regulate the DosR dormancy regulon

Conformational States of 2′‑C‑Methylpyrimidine Nucleosides in Single and Double Nucleic Acid Stranded Structures

Role of PheE15 gate in ligand entry and nitric oxide detoxification function of mycobacterium tuberculosis truncated hemoglobin N

Following ligand migration pathways from picoseconds to milliseconds in type II truncated hemoglobin from Thermobifida fusca

3-Nitrotyrosine and related derivatives in proteins: precursors, radical intermediates and impact in function

A Microscopic Study of the Deoxyhemoglobin-Catalyzed Generation of Nitric Oxide from Nitrite Anion

Substrate stereo-specificity in tryptophan dioxygenase and indoleamine 2,3-dioxygenase

Acidity and nucleophilic reactivity of glutathione persulfide

first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies

In Search of GABA A Receptor's Neurosteroid Binding Sites

Role of Pre-A Motif in Nitric Oxide Scavenging by Truncated Hemoglobin, HbN, of Mycobacterium tuberculosis

Nucleotide-dependent dynamics of the Dengue NS3 helicase

Mechanism of Peroxynitrite Interaction with Ferric M. tuberculosis Nitrobindin: A Computational Study

In Search of GABAA Receptor's Neurosteroid Binding Sites

Unraveling the molecular basis for ligand binding in truncated hemoglobins: The trHbO Bacillus subtilis case

Minimum Free Energy Pathways of Reactive Processes with Nudged Elastic Bands

Reactivity of Inorganic Sulfide Species toward a Heme Protein Model

Modeling heme proteins using atomistic simulations

Access and Binding of H2S to Hemeproteins: The Case of HbI of Lucina pectinata

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