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Amphetamine-like Deferiprone and Clioquinol Derivatives as Iron Chelating Agents

Molecules (Basel, Switzerland), 2024-09, Vol.29 (17), p.4213

2024

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An ONIOM and MD Investigation of Possible Monofunctional Activity of Human 8‑Oxoguanine–DNA Glycosylase (hOgg1)

The journal of physical chemistry. B, 2015-06, Vol.119 (25), p.8013-8023

2015

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Identification of an allosteric binding site on the human glycine transporter, GlyT2, for bioactive lipid analgesics

eLife, 2019-10, Vol.8

2019

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Conserved FimH mutations in the global Escherichia coli ST131 multi-drug resistant lineage weaken interdomain interactions and alter adhesin function

Computational and structural biotechnology journal, 2022-01, Vol.20, p.4532-4541

2022

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Loss, Gain and Altered Function of GlyR α2 Subunit Mutations in Neurodevelopmental Disorders

Frontiers in molecular neuroscience, 2022-04, Vol.15, p.886729-886729

2022

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Investigating the lipid fingerprint of SLC6 neurotransmitter transporters: a comparison of dDAT, hDAT, hSERT, and GlyT2

BBA advances, 2021-01, Vol.1, p.100010-100010, Article 100010

2021

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Computational Evaluation of Nucleotide Insertion Opposite Expanded and Widened DNA by the Translesion Synthesis Polymerase Dpo4

Molecules (Basel, Switzerland), 2016-06, Vol.21 (7), p.822-822

2016

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DNA-protein π-interactions in nature: abundance, structure, composition and strength of contacts between aromatic amino acids and DNA nucleobases or deoxyribose sugar

Nucleic acids research, 2014-06, Vol.42 (10), p.6726-6741

2014

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Stereoselective Single Step Cyclization to Give Belt-Functionalized Pillar[6]arenes

Journal of organic chemistry, 2024-02, Vol.89 (3), p.1397-1406

2024

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Polyunsaturated lipids promote membrane phase separation and antimicrobial sensitivity

Biophysical journal, 2023-02, Vol.122 (3), p.322a-323a

2023

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Anatomy of noncovalent interactions between the nucleobases or ribose and π-containing amino acids in RNA-protein complexes

Nucleic acids research, 2021-02, Vol.49 (4), p.2213-2225

2021

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Multiscale computational investigations of the translesion synthesis bypass of tobacco-derived DNA adducts: critical insights that complement experimental biochemical studies

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (18), p.1667-1683

2022

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Topology of RNA-protein nucleobase-amino acid π-π interactions and comparison to analogous DNA-protein π-π contacts

RNA (Cambridge), 2016-05, Vol.22 (5), p.696-708

2016

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The relationship between aortic wall distensibility and rupture of infrarenal abdominal aortic aneurysm

Journal of vascular surgery, 2003-01, Vol.37 (1), p.112-117

2003

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High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A π-stacking interactions for small-molecule recognition

Nucleic acids research, 2020-06, Vol.48 (10), p.5766-5776

2020

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Understanding the Link between Lipid Diversity and the Biophysical Properties of the Neuronal Plasma Membrane

Biochemistry (Easton), 2020-08, Vol.59 (33), p.3010-3018

2020

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Uncovering a unique approach for damaged DNA replication: A computational investigation of a mutagenic tobacco-derived thymine lesion

Nucleic acids research, 2019-02, Vol.47 (4), p.1871-1879

2019

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Computational Insight into the Differential Mutagenic Patterns of O‑Methylthymine Lesions

Chemical research in toxicology, 2019-10, Vol.32 (10), p.2107-2117

2019

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Structural Rationalization for the Nonmutagenic and Mutagenic Bypass of the Tobacco-Derived O4-4-(3-Pyridyl)-4-oxobut-1-yl-thymine Lesion by Human Polymerase η: A Multiscale Computational Study

Chemical research in toxicology, 2021-06, Vol.34 (6), p.1619-1629

2021

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Conformational Flexibility of the Benzyl-Guanine Adduct in a Bypass Polymerase Active Site Permits Replication: Insights from Molecular Dynamics Simulations

Chemical research in toxicology, 2017-11, Vol.30 (11), p.2013-2022

2017

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The allosteric inhibition of glycine transporter 2 by bioactive lipid analgesics is controlled by penetration into a deep lipid cavity

The Journal of biological chemistry, 2021-01, Vol.296, p.100282, Article 100282

2021

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Molecular Insights into the Translesion Synthesis of Benzyl-Guanine from Molecular Dynamics Simulations: Structural Evidence of Mutagenic and Nonmutagenic Replication

Biochemistry (Easton), 2017-04, Vol.56 (13), p.1841-1853

2017

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Site of Cholesterol Oxidation Impacts Its Localization and Domain Formation in the Neuronal Plasma Membrane

ACS chemical neuroscience, 2021-10, Vol.12 (20), p.3873-3884

2021

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The Coupling of NSSL Warn-on-Forecast and FLASH Systems for Probabilistic Flash Flood Prediction

Journal of hydrometeorology, 2020-01, Vol.21 (1), p.123-141

2020

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Computational insights into the mutagenicity of two tobacco-derived carcinogenic DNA lesions

Nucleic acids research, 2018-12, Vol.46 (22), p.11858-11868

2018

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Amphetamine-like Deferiprone and Clioquinol Derivatives as Iron Chelating Agents

An ONIOM and MD Investigation of Possible Monofunctional Activity of Human 8‑Oxoguanine–DNA Glycosylase (hOgg1)

Identification of an allosteric binding site on the human glycine transporter, GlyT2, for bioactive lipid analgesics

Conserved FimH mutations in the global Escherichia coli ST131 multi-drug resistant lineage weaken interdomain interactions and alter adhesin function

Loss, Gain and Altered Function of GlyR α2 Subunit Mutations in Neurodevelopmental Disorders

Investigating the lipid fingerprint of SLC6 neurotransmitter transporters: a comparison of dDAT, hDAT, hSERT, and GlyT2

Computational Evaluation of Nucleotide Insertion Opposite Expanded and Widened DNA by the Translesion Synthesis Polymerase Dpo4

DNA-protein π-interactions in nature: abundance, structure, composition and strength of contacts between aromatic amino acids and DNA nucleobases or deoxyribose sugar

Stereoselective Single Step Cyclization to Give Belt-Functionalized Pillar[6]arenes

Polyunsaturated lipids promote membrane phase separation and antimicrobial sensitivity

Anatomy of noncovalent interactions between the nucleobases or ribose and π-containing amino acids in RNA-protein complexes

Multiscale computational investigations of the translesion synthesis bypass of tobacco-derived DNA adducts: critical insights that complement experimental biochemical studies

Topology of RNA-protein nucleobase-amino acid π-π interactions and comparison to analogous DNA-protein π-π contacts

The relationship between aortic wall distensibility and rupture of infrarenal abdominal aortic aneurysm

High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A π-stacking interactions for small-molecule recognition

Understanding the Link between Lipid Diversity and the Biophysical Properties of the Neuronal Plasma Membrane

Uncovering a unique approach for damaged DNA replication: A computational investigation of a mutagenic tobacco-derived thymine lesion

Computational Insight into the Differential Mutagenic Patterns of O‑Methylthymine Lesions

Structural Rationalization for the Nonmutagenic and Mutagenic Bypass of the Tobacco-Derived O4-4-(3-Pyridyl)-4-oxobut-1-yl-thymine Lesion by Human Polymerase η: A Multiscale Computational Study

Conformational Flexibility of the Benzyl-Guanine Adduct in a Bypass Polymerase Active Site Permits Replication: Insights from Molecular Dynamics Simulations

The allosteric inhibition of glycine transporter 2 by bioactive lipid analgesics is controlled by penetration into a deep lipid cavity

Molecular Insights into the Translesion Synthesis of Benzyl-Guanine from Molecular Dynamics Simulations: Structural Evidence of Mutagenic and Nonmutagenic Replication

Site of Cholesterol Oxidation Impacts Its Localization and Domain Formation in the Neuronal Plasma Membrane

The Coupling of NSSL Warn-on-Forecast and FLASH Systems for Probabilistic Flash Flood Prediction

Computational insights into the mutagenicity of two tobacco-derived carcinogenic DNA lesions

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