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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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Ligand uptake in Mycobacterium tuberculosis truncated hemoglobins is controlled by both internal tunnels and active site water molecules

F1000 research, 2015, Vol.4, p.22-22

2015

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Mechanisms of NO Release by N1-Nitrosomelatonin: Nucleophilic Attack versus Reducing Pathways

Journal of organic chemistry, 2005-07, Vol.70 (15), p.5790-5798

2005

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pH-Dependent conformational changes in proteins and their effect on experimental pK(a)s: the case of Nitrophorin 4

PLoS computational biology, 2012, Vol.8 (11), p.e1002761-e1002761

2012

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Catalysis of Peroxide Reduction by Fast Reacting Protein Thiols: Focus Review

Chemical reviews, 2019-10, Vol.119 (19), p.10829-10855

2019

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Exploring the molecular basis of neurosteroid binding to the β3 homopentameric GABAA receptor

The Journal of steroid biochemistry and molecular biology, 2015-11, Vol.154, p.159-167

2015

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In Search of GABA A Receptor’s Neurosteroid Binding Sites: Miniperspective

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

2019

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Evolutionary and Functional Relationships in the Truncated Hemoglobin Family: e1004701

PLoS computational biology, 2016-01, Vol.12 (1)

2016

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Thermal and solvent effects on the coordination structure of LiAlH4: a computational study

Chemical physics letters, 2002-02, Vol.353 (1-2), p.178-184

2002

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Computer Simulation of Chemical Reactivity of Heme Proteins

Biophysical journal, 2011-02, Vol.100 (3), p.379a-379a

2011

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Access and Binding of H 2 S 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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P-161 - Substrate triggered structural movements in Ohr: dihydrolipoamide accelerates the approximation of catalytic Arg towards the active site

Free radical biology & medicine, 2018-05, Vol.120, p.S93-S93

2018

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Substrate triggered structural movements in Ohr: dihydrolipoamide accelerates the approximation of catalytic Arg towards the active site

Free radical biology & medicine, 2018-05, Vol.120, p.S93

2018

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Coordination of peroxide to the CuM center of peptidylglycine α-hydroxylating monooxygenase (PHM): structural and computational study

Journal of biological inorganic chemistry, 2013-02, Vol.18 (2), p.223-232

2013

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Thiol redox biochemistry: insights from computer simulations

Biophysical reviews, 2014-03, Vol.6 (1), p.27-46

2014

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An ab initio path integral Monte Carlo simulation method for molecules and clusters: Application to Li4 and Li5

The Journal of chemical physics, 1998-06, Vol.108 (21), p.8848-8858

1998

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Mapping the protein-binding sites for iridium(iii)-based CO-releasing moleculesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6dt01685e

2016-07

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Mycobacterium tuberculosis DosS binds H 2 S through its Fe 3+ heme iron to regulate the DosR dormancy regulon

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

2022

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Interplay of the H‑Bond Donor−Acceptor Role of the Distal Residues in Hydroxyl Ligand Stabilization of Thermobif ida f usca Truncated Hemoglobin

Biochemistry (Easton), 2014-12

2014

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Synthesis, Structure, and Reactivity of Aliphatic Primary Nitrosamines Stabilized by Coordination to [IrCl5]2

Organometallics, 2008-05, Vol.27 (9), p.1985-1995

2008

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pH-dependent conformational changes in proteins and their effect on experimental [pK.sub.a]s: the case of Nitrophorin 4

PLoS computational biology, 2012-11, Vol.8 (11)

2012

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Isomerization, melting, and polarity of model water clusters: (H2O)6 and (H2O)8

The Journal of chemical physics, 1999-05, Vol.110 (18), p.9039-9047

1999

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Molecular Basis of the Mechanism of Thiol Oxidation by Hydrogen Peroxide in Aqueous Solution: Challenging the S sub(N)2 Paradigm

Chemical research in toxicology, 2012-03, Vol.25 (3), p.741-746-741-746

2012

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Mechanistic Insight into the Enzymatic Reduction of Truncated Hemoglobin N of Mycobacterium tuberculosis

The Journal of biological chemistry, 2014-08, Vol.289 (31), p.21573-21583

2014

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In Search of GABAA Receptor’s Neurosteroid Binding Sites: Miniperspective

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

2019

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In Search of GABAA Receptor's Neurosteroid Binding Sites

Ligand uptake in Mycobacterium tuberculosis truncated hemoglobins is controlled by both internal tunnels and active site water molecules

Mechanisms of NO Release by N1-Nitrosomelatonin: Nucleophilic Attack versus Reducing Pathways

pH-Dependent conformational changes in proteins and their effect on experimental pK(a)s: the case of Nitrophorin 4

Catalysis of Peroxide Reduction by Fast Reacting Protein Thiols: Focus Review

Exploring the molecular basis of neurosteroid binding to the β3 homopentameric GABAA receptor

In Search of GABA A Receptor’s Neurosteroid Binding Sites: Miniperspective

Evolutionary and Functional Relationships in the Truncated Hemoglobin Family: e1004701

Thermal and solvent effects on the coordination structure of LiAlH4: a computational study

Computer Simulation of Chemical Reactivity of Heme Proteins

Access and Binding of H 2 S to Hemeproteins: The Case of HbI of Lucina pectinata

P-161 - Substrate triggered structural movements in Ohr: dihydrolipoamide accelerates the approximation of catalytic Arg towards the active site

Substrate triggered structural movements in Ohr: dihydrolipoamide accelerates the approximation of catalytic Arg towards the active site

Coordination of peroxide to the CuM center of peptidylglycine α-hydroxylating monooxygenase (PHM): structural and computational study

Thiol redox biochemistry: insights from computer simulations

An ab initio path integral Monte Carlo simulation method for molecules and clusters: Application to Li4 and Li5

Mapping the protein-binding sites for iridium(iii)-based CO-releasing moleculesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6dt01685e

Mycobacterium tuberculosis DosS binds H 2 S through its Fe 3+ heme iron to regulate the DosR dormancy regulon

Interplay of the H‑Bond Donor−Acceptor Role of the Distal Residues in Hydroxyl Ligand Stabilization of Thermobif ida f usca Truncated Hemoglobin

Synthesis, Structure, and Reactivity of Aliphatic Primary Nitrosamines Stabilized by Coordination to [IrCl5]2

pH-dependent conformational changes in proteins and their effect on experimental [pK.sub.a]s: the case of Nitrophorin 4

Isomerization, melting, and polarity of model water clusters: (H2O)6 and (H2O)8

Molecular Basis of the Mechanism of Thiol Oxidation by Hydrogen Peroxide in Aqueous Solution: Challenging the S sub(N)2 Paradigm

Mechanistic Insight into the Enzymatic Reduction of Truncated Hemoglobin N of Mycobacterium tuberculosis

In Search of GABAA Receptor’s Neurosteroid Binding Sites: Miniperspective

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