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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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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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Binding mechanism of disulfide species to ferric hemeproteins: The case of metmyoglobin

Journal of inorganic biochemistry, 2023-10, Vol.247, p.112313-112313, Article 112313

2023

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The role of the distal cavity in carbon monoxide stabilization in the coproheme decarboxylase enzyme from C. diphtheriae

Journal of inorganic biochemistry, 2023-08, Vol.245, p.112243-112243, Article 112243

2023

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Disulfides form persulfides at alkaline pH leading to potential overestimations in the cold cyanolysis method

Free radical biology & medicine, 2023-10, Vol.207, p.63-71

2023

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Reduction of metmyoglobin by inorganic disulfide species

Journal of inorganic biochemistry, 2023-08, Vol.245, p.112256-112256, Article 112256

2023

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Nitric oxide binding to ferrous nitrobindins: A computer simulation investigation

Journal of inorganic biochemistry, 2023-11, Vol.248, p.112336-112336, Article 112336

2023

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Proximal ligand tunes active site structure and reactivity in bacterial L. monocytogenes coproheme ferrochelatase

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2024-05, Vol.313, p.124120, Article 124120

2024

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Theoretical investigation of the mechanism of nitroxyl decomposition in aqueous solution

Journal of inorganic biochemistry, 2016-09, Vol.162, p.102-108

2016

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Distal lysine (de)coordination in the algal hemoglobin THB1: A combined computer simulation and experimental study

Journal of inorganic biochemistry, 2021-07, Vol.220, p.111455, Article 111455

2021

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Insights into the mechanism of the reaction between hydrogen sulfide and peroxynitrite

Free radical biology & medicine, 2015-03, Vol.80, p.93-100

2015

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Reactivity of inorganic sulfide species towards a pentacoordinated heme model system

Journal of inorganic biochemistry, 2021-07, Vol.220, p.111459-111459, Article 111459

2021

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Mechanism of cysteine oxidation by peroxynitrite: An integrated experimental and theoretical study

Archives of biochemistry and biophysics, 2013-11, Vol.539 (1), p.81-86

2013

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Evaluation of quinoxaline compounds as ligands of a site adjacent to S2 (AS2) of cruzain

Bioorganic & medicinal chemistry letters, 2019-08, Vol.29 (16), p.2197-2202

2019

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Control of distal lysine coordination in a monomeric hemoglobin: A role for heme peripheral interactions

Journal of inorganic biochemistry, 2021-06, Vol.219, p.111437, Article 111437

2021

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Small ligand–globin interactions: Reviewing lessons derived from computer simulation

Biochimica et biophysica acta, 2013-09, Vol.1834 (9), p.1722-1738

2013

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Electronic spectra of indolyl radicals: a time-dependent DFT study

Chemical physics letters, 2002-10, Vol.365 (1), p.15-21

2002

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Engineered chimeras reveal the structural basis of hexacoordination in globins: A case study of neuroglobin and myoglobin

Biochimica et biophysica acta, 2015-01, Vol.1850 (1), p.169-177

2015

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Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration

Archives of biochemistry and biophysics, 2011-03, Vol.507 (2), p.304-309

2011

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Molecular basis of intramolecular electron transfer in proteins during radical-mediated oxidations: Computer simulation studies in model tyrosine–cysteine peptides in solution

Archives of biochemistry and biophysics, 2012-09, Vol.525 (1), p.82-91

2012

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H-bonding networks of the distal residues and water molecules in the active site of Thermobifida fusca hemoglobin

Biochimica et biophysica acta, 2013-09, Vol.1834 (9), p.1901-1909

2013

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Protein dynamics and ligand migration interplay as studied by computer simulation

Biochimica et biophysica acta, 2011-08, Vol.1814 (8), p.1054-1064

2011

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The key role of water in the dioxygenase function of Escherichia coli flavohemoglobin

Journal of inorganic biochemistry, 2013-02, Vol.119, p.75-84

2013

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Destabilization of the torsioned conformation of a ligand side chain inverts the LXRβ activity

Biochimica et biophysica acta, 2015-12, Vol.1851 (12), p.1577-1586

2015

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Dioxygen affinity in heme proteins investigated by computer simulation

Journal of inorganic biochemistry, 2006-04, Vol.100 (4), p.761-770

2006

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

Nucleotide-dependent dynamics of the Dengue NS3 helicase

Binding mechanism of disulfide species to ferric hemeproteins: The case of metmyoglobin

The role of the distal cavity in carbon monoxide stabilization in the coproheme decarboxylase enzyme from C. diphtheriae

Disulfides form persulfides at alkaline pH leading to potential overestimations in the cold cyanolysis method

Reduction of metmyoglobin by inorganic disulfide species

Nitric oxide binding to ferrous nitrobindins: A computer simulation investigation

Proximal ligand tunes active site structure and reactivity in bacterial L. monocytogenes coproheme ferrochelatase

Theoretical investigation of the mechanism of nitroxyl decomposition in aqueous solution

Distal lysine (de)coordination in the algal hemoglobin THB1: A combined computer simulation and experimental study

Insights into the mechanism of the reaction between hydrogen sulfide and peroxynitrite

Reactivity of inorganic sulfide species towards a pentacoordinated heme model system

Mechanism of cysteine oxidation by peroxynitrite: An integrated experimental and theoretical study

Evaluation of quinoxaline compounds as ligands of a site adjacent to S2 (AS2) of cruzain

Control of distal lysine coordination in a monomeric hemoglobin: A role for heme peripheral interactions

Small ligand–globin interactions: Reviewing lessons derived from computer simulation

Electronic spectra of indolyl radicals: a time-dependent DFT study

Engineered chimeras reveal the structural basis of hexacoordination in globins: A case study of neuroglobin and myoglobin

Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration

Molecular basis of intramolecular electron transfer in proteins during radical-mediated oxidations: Computer simulation studies in model tyrosine–cysteine peptides in solution

H-bonding networks of the distal residues and water molecules in the active site of Thermobifida fusca hemoglobin

Protein dynamics and ligand migration interplay as studied by computer simulation

The key role of water in the dioxygenase function of Escherichia coli flavohemoglobin

Destabilization of the torsioned conformation of a ligand side chain inverts the LXRβ activity

Dioxygen affinity in heme proteins investigated by computer simulation

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