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1.

Stable Interstrand Cross-Links Generated from the Repair of 1,N⁶-Ethenoadenine in DNA by α-Ketoglutarate/Fe(II)-Dependent Dioxygenase ALKBH2.

Wang, Jie; Takyi, Nathania A; Hsiao, Yun-Chung; Tang, Qi; Chen, Yi-Tzai; Liu, Chih-Wei; Ma, Jian; Qi, Rui; Bian, Ke; Peng, Zhiyuan; Essigmann, John M; Lu, Kun; Wetmore, Stacey D; Li, Deyu.

J Am Chem Soc ; 146(15): 10381-10392, 2024 Apr 17.

Article in English | MEDLINE | ID: mdl-38573229

2.

Fluoride-Ion Donor Properties of AsF₅.

O'Donnell, Felix; Wetmore, Stacey D; Gerken, Michael.

Inorg Chem ; 63(17): 7619-7630, 2024 Apr 29.

Article in English | MEDLINE | ID: mdl-38629175

3.

Is Metal Stabilization of the Leaving Group Required or Can Lysine Facilitate Phosphodiester Bond Cleavage in Nucleic Acids? A Computational Study of EndoV.

Kaur, Rajwinder; Wetmore, Stacey D.

J Chem Inf Model ; 64(3): 944-959, 2024 Feb 12.

Article in English | MEDLINE | ID: mdl-38253321

4.

Elucidation of the catalytic mechanism of a single-metal dependent homing endonuclease using QM and QM/MM approaches: the case study of I-PpoI.

Kaur, Rajwinder; Frederickson, Angela; Wetmore, Stacey D.

Phys Chem Chem Phys ; 26(11): 8919-8931, 2024 Mar 13.

Article in English | MEDLINE | ID: mdl-38426850

5.

Distinctive Formation of a DNA-Protein Cross-Link during the Repair of DNA Oxidative Damage: Insights into Human Disease from MD Simulations and QM/MM Calculations.

Nikkel, Dylan J; Wetmore, Stacey D.

J Am Chem Soc ; 145(24): 13114-13125, 2023 06 21.

Article in English | MEDLINE | ID: mdl-37285289

6.

Posttranscriptional modifications at the 37th position in the anticodon stem-loop of tRNA: structural insights from MD simulations.

Seelam Prabhakar, Preethi; Takyi, Nathania A; Wetmore, Stacey D.

RNA ; 27(2): 202-220, 2021 02.

Article in English | MEDLINE | ID: mdl-33214333

7.

Harnessing a 4-Formyl-Aniline Handle to Tune the Stability of a DNA Aptamer-Protein Complex via Fluorescent Surrogates.

Johnson, Ryan E; Murray, Makay T; Bycraft, Lucas J; Myler, Peter; Wetmore, Stacey D; Manderville, Richard A.

Bioconjug Chem ; 34(11): 2066-2076, 2023 11 15.

Article in English | MEDLINE | ID: mdl-37857354

8.

Interaction Modes Between SF₄ and Ketones; Study of Intermediates in Deoxofluorination Reactions.

Stuart, Daniel; O'Donnell, Felix; Wetmore, Stacey D; Gerken, Michael.

Chemistry ; 29(40): e202301068, 2023 Jul 14.

Article in English | MEDLINE | ID: mdl-37083932

9.

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

Wilson, Katie A; Kung, Ryan W; D'souza, Simmone; Wetmore, Stacey D.

Nucleic Acids Res ; 49(4): 2213-2225, 2021 02 26.

Article in English | MEDLINE | ID: mdl-33544852

10.

Effects of a Second Local DNA Damage Event on the Toxicity of the Human Carcinogen 4-Aminobiphenyl: A Molecular Dynamics Study of a Damaged DNA Structure.

Kung, Ryan W; Takyi, Nathania A; Wetmore, Stacey D.

Chem Res Toxicol ; 35(3): 499-511, 2022 03 21.

Article in English | MEDLINE | ID: mdl-35147430

11.

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

Wilson, Katie A; Jeong, Ye Eun Rebecca; Wetmore, Stacey D.

Phys Chem Chem Phys ; 24(18): 10667-10683, 2022 May 11.

Article in English | MEDLINE | ID: mdl-35502640

12.

The metal dependence of single-metal mediated phosphodiester bond cleavage: a QM/MM study of a multifaceted human enzyme.

Kaur, Rajwinder; Aboelnga, Mohamed M; Nikkel, Dylan J; Wetmore, Stacey D.

Phys Chem Chem Phys ; 24(47): 29130-29140, 2022 Dec 07.

Article in English | MEDLINE | ID: mdl-36444615

13.

Stabilisation of [W^V F₄ ]⁺ by N- and P-Donor Ligands: Second-Order Jahn-Teller Effects in Octacoordinate d¹ Complexes.

Turnbull, Douglas; Wetmore, Stacey D; Gerken, Michael.

Chemistry ; 27(44): 11335-11343, 2021 Aug 05.

Article in English | MEDLINE | ID: mdl-33882177

14.

Donor-Stabilised [SbF₄ ]⁺ : SbF₅ as a Fluoride-Ion Donor.

O'Donnell, Felix; Turnbull, Douglas; Wetmore, Stacey D; Gerken, Michael.

Chemistry ; 27(66): 16334-16337, 2021 Nov 25.

Article in English | MEDLINE | ID: mdl-34559930

15.

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 Î·: A Multiscale Computational Study.

Bhutani, Priya; Murray, Makay T; Sommer, Craig W; Wilson, Katie A; Wetmore, Stacey D.

Chem Res Toxicol ; 34(6): 1619-1629, 2021 06 21.

Article in English | MEDLINE | ID: mdl-33856186

16.

Chalcogen versus Dative Bonding in [SF₃]⁺ Lewis Acid-Base Adducts: [SF₃(NCCH₃)₂]⁺, [SF₃(NC₅H₅)₂]⁺, and [SF₃(phen)]⁺ (phen = 1,10-phenanthroline).

Turnbull, Douglas; Chaudhary, Praveen; Hazendonk, Paul; Wetmore, Stacey D; Gerken, Michael.

Inorg Chem ; 60(6): 3893-3901, 2021 Mar 15.

Article in English | MEDLINE | ID: mdl-33606507

17.

Lewis Acid Behavior of MoF₅ and MoOF₄: Syntheses and Characterization of MoF₅(NCCH₃), MoF₅(NC₅H₅)_n, and MoOF₄(NC₅H₅)_n (n = 1, 2).

Bykowski, Janelle; Turnbull, Douglas; Hahn, Nolan; Boeré, René T; Wetmore, Stacey D; Gerken, Michael.

Inorg Chem ; 60(20): 15695-15711, 2021 Oct 18.

Article in English | MEDLINE | ID: mdl-34609865

18.

Role of Stacking Interactions in the Stability of Primitive Genetics: A Quantum Chemical View.

Kaur, Sarabjeet; Grover, Payal; Wetmore, Stacey D; Sharma, Purshotam.

J Chem Inf Model ; 61(9): 4321-4330, 2021 09 27.

Article in English | MEDLINE | ID: mdl-34491053

19.

Impact of DNA Adduct Size, Number, and Relative Position on the Toxicity of Aromatic Amines: A Molecular Dynamics Case Study of ^ANdG- and ^APdG-Containing DNA Duplexes.

Kung, Ryan W; Deak, Trinity K; Griffith-Salik, Cassidy A; Takyi, Nathania A; Wetmore, Stacey D.

J Chem Inf Model ; 61(5): 2313-2327, 2021 05 24.

Article in English | MEDLINE | ID: mdl-33977716

20.

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

Wilson, Katie A; Holland, Carl D; Wetmore, Stacey D.

Nucleic Acids Res ; 47(4): 1871-1879, 2019 02 28.

Article in English | MEDLINE | ID: mdl-30605521

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