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A Halogen Bonding Perspective on Iodothyronine Deiodinase Activity

Molecules (Basel, Switzerland), 2020-03, Vol.25 (6), p.1328

2020

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Modeling the Mechanism of the Glutathione Peroxidase Mimic Ebselen

Inorganic chemistry, 2011-12, Vol.50 (23), p.12075-12084

2011

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Stack bonding in polyaromatic hydrocarbons

Physical chemistry chemical physics : PCCP, 2023-08, Vol.25 (3), p.2451-2461

Bayse, Craig A

2023

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Redox active motifs in selenoproteins

Proceedings of the National Academy of Sciences - PNAS, 2014-05, Vol.111 (19), p.6976-6981

2014

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DFT Study of the Glutathione Peroxidase-Like Activity of Phenylselenol Incorporating Solvent-Assisted Proton Exchange

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-09, Vol.111 (37), p.9070-9075

Bayse, Craig A.

2007

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Halogen Bonding from the Bonding Perspective with Considerations for Mechanisms of Thyroid Hormone Activation and Inhibition

New journal of chemistry, 2018, Vol.42 (13), p.10623-10632

Bayse, Craig A

2018

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Molecular Dynamics Simulations of Reduced and Oxidized TFIIIA Zinc Fingers Free and Interacting with 5S RNA

Journal of chemical information and modeling, 2022-02, Vol.62 (4), p.903-913

2022

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Effect of Methoxy Substituents on the Activation Barriers of the Glutathione Peroxidase-Like Mechanism of an Aromatic Cyclic Seleninate

Molecules (Basel, Switzerland), 2015-06, Vol.20 (6), p.10244-10252

2015

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Photoluminescence of 1-D Copper(I) Cyanide Chains: A Theoretical Description

Inorganic chemistry, 2009-01, Vol.48 (1), p.174-182

2009

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Trigger bond analysis of nitroaromatic energetic materials using wiberg bond indices

Journal of computational chemistry, 2018-07, Vol.39 (19), p.1236-1248

2018

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Modeling the Oxidation of Ebselen and Other Organoselenium Compounds Using Explicit Solvent Networks

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-05, Vol.113 (19), p.5780-5785

2009

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Bonding analysis of the effect of strain on trigger bonds in organic-cage energetic materials

Theoretical chemistry accounts, 2020-06, Vol.139 (6), Article 95

2020

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Halogen Bonding Interactions of Polychlorinated Biphenyls and the Potential for Thyroid Disruption

Chemistry : a European journal, 2020-04, Vol.26 (23), p.5200-5207

2020

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Halogen Bonding Interactions of Haloaromatic Endocrine Disruptors and the Potential for Inhibition of Iodothyronine Deiodinases

ChemistrySelect (Weinheim), 2023-06, Vol.8 (24), p.n/a

Bayse, Craig A.

2023

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Sulfur and selenium antioxidants: Challenging radical scavenging mechanisms and developing structure–activity relationships based on metal binding

Journal of inorganic biochemistry, 2015-04, Vol.145, p.30-40

2015

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In silico insights into the dimer structure and deiodinase activity of type III iodothyronine deiodinase from bioinformatics, molecular dynamics simulations, and QM/MM calculations

Journal of biomolecular structure & dynamics, 2023-07, Vol.41 (11), p.4819-4829

2023

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Halogen‐Bonding Interactions of Polybrominated Diphenyl Ethers and Thyroid Hormone Derivatives: A Potential Mechanism for the Inhibition of Iodothyronine Deiodinase

Chemistry : a European journal, 2017-05, Vol.23 (27), p.6625-6633

2017

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Predicting Trigger Bonds in Explosive Materials through Wiberg Bond Index Analysis

Chemphyschem, 2015-12, Vol.16 (18), p.3886-3892

2015

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Transition states for cysteine redox processes modeled by DFT and solvent-assisted proton exchange

Organic & biomolecular chemistry, 2011-07, Vol.9 (13), p.4748-4751

Bayse, Craig A

2011

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Frontispiece: Halogen Bonding Interactions of Polychlorinated Biphenyls and the Potential for Thyroid Disruption

Chemistry : a European journal, 2020-04, Vol.26 (23), p.n/a

2020

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The effect of metalation on antimicrobial piscidins imbedded in normal and oxidized lipid bilayers

RSC chemical biology, 2023-08, Vol.4 (8), p.573-586

2023

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DFT modeling of the prevention of Fe(II)-mediated redox damage by imidazole-based thiones and selones

Journal of inorganic biochemistry, 2019-04, Vol.193, p.9-14

2019

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Ruthenium(II) Dichloride Complexes of Chiral, Tetradentate Aminosulfoxide Ligands: Stereoisomerism and Redox-Induced Linkage Isomerism

Inorganic chemistry, 2013-02, Vol.52 (3), p.1170-1172

2013

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The effect of nitro groups on N2 extrusion from aromatic azide-based energetic materials

New journal of chemistry, 2019, Vol.43 (38), p.15326-15334

2019

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Thyroxine binding to type III iodothyronine deiodinase

Scientific reports, 2020-09, Vol.10 (1), p.15401-15401, Article 15401

2020

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A Halogen Bonding Perspective on Iodothyronine Deiodinase Activity

Modeling the Mechanism of the Glutathione Peroxidase Mimic Ebselen

Stack bonding in polyaromatic hydrocarbons

Redox active motifs in selenoproteins

DFT Study of the Glutathione Peroxidase-Like Activity of Phenylselenol Incorporating Solvent-Assisted Proton Exchange

Halogen Bonding from the Bonding Perspective with Considerations for Mechanisms of Thyroid Hormone Activation and Inhibition

Molecular Dynamics Simulations of Reduced and Oxidized TFIIIA Zinc Fingers Free and Interacting with 5S RNA

Effect of Methoxy Substituents on the Activation Barriers of the Glutathione Peroxidase-Like Mechanism of an Aromatic Cyclic Seleninate

Photoluminescence of 1-D Copper(I) Cyanide Chains: A Theoretical Description

Trigger bond analysis of nitroaromatic energetic materials using wiberg bond indices

Modeling the Oxidation of Ebselen and Other Organoselenium Compounds Using Explicit Solvent Networks

Bonding analysis of the effect of strain on trigger bonds in organic-cage energetic materials

Halogen Bonding Interactions of Polychlorinated Biphenyls and the Potential for Thyroid Disruption

Halogen Bonding Interactions of Haloaromatic Endocrine Disruptors and the Potential for Inhibition of Iodothyronine Deiodinases

Sulfur and selenium antioxidants: Challenging radical scavenging mechanisms and developing structure–activity relationships based on metal binding

In silico insights into the dimer structure and deiodinase activity of type III iodothyronine deiodinase from bioinformatics, molecular dynamics simulations, and QM/MM calculations

Halogen‐Bonding Interactions of Polybrominated Diphenyl Ethers and Thyroid Hormone Derivatives: A Potential Mechanism for the Inhibition of Iodothyronine Deiodinase

Predicting Trigger Bonds in Explosive Materials through Wiberg Bond Index Analysis

Transition states for cysteine redox processes modeled by DFT and solvent-assisted proton exchange

Frontispiece: Halogen Bonding Interactions of Polychlorinated Biphenyls and the Potential for Thyroid Disruption

The effect of metalation on antimicrobial piscidins imbedded in normal and oxidized lipid bilayers

DFT modeling of the prevention of Fe(II)-mediated redox damage by imidazole-based thiones and selones

Ruthenium(II) Dichloride Complexes of Chiral, Tetradentate Aminosulfoxide Ligands: Stereoisomerism and Redox-Induced Linkage Isomerism

The effect of nitro groups on N2 extrusion from aromatic azide-based energetic materials

Thyroxine binding to type III iodothyronine deiodinase

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