Publications by authors named "Stacey D Wetmore"

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Decarboxylative Redox Bicyclo[1.1.1]pentylation: Benchmarking the Influence of Backbone Substituents on C-C Bond-Forming Reactions.
Stacie K Nelson, Austin Pounder, Alexandra E Thwaites, Stacey D Wetmore, Jean-Denys Hamel

Org Lett· December 2025

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-I riboswitch aptamer domain requires an interplay between metal triad and cationic ligand: insights into metal ion-induced allostery from molecular dynamics simulations.
Indu Negi, Stacey D Wetmore

RNA· November 2025

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Synthesis and Characterization of [MF(terpy)] (M = Mo, W) Salts: Autoionization of MF Induced by a Tridentate Ligand.
Miriam D van Hoeve, Taylor P K Adamitz, Felix O'Donnell, Stacey D Wetmore, Michael Gerken

Chemistry· November 2025

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Unlocking the chemistry facilitated by enzymes that process nucleic acids using quantum mechanical and combined quantum mechanics-molecular mechanics techniques.
Dylan J Nikkel, Stacey D Wetmore

Pure Appl Chem· September 2025

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Synthesis and Reactivity of [SF] Adducts with Organic Bases.
Felix O'Donnell, Praveen Chaudhary, Yoyo Yao, Stacey D Wetmore, Michael Gerken

Inorg Chem· August 2025

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A multiscale computational and experimental study of TBA-fluorescent probes for protein sensing: photobasicity over twisted intramolecular charge transfer as a new mechanism for protein induced fluorescence enhancement.
Makay T Murray, Austin Pounder, Ryan E Johnson, Keenan T Regan, Richard A Manderville, Stacey D Wetmore

Phys Chem Chem Phys· August 2025

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Photobasicity-Triggered Twisted Intramolecular Charge Transfer of Push-Pull Chromophores.
Austin Pounder, Matteo Pavlovic, Darren Chow, Keenan T Regan, Aicheng Chen, Stacey D Wetmore

J Phys Chem B· August 2025

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Modular access to nucleobase GFP-surrogates: pH-responsive smart probes for ratiometric nucleic acid diagnostics.
Keenan T Regan, Austin Pounder, Ryan E Johnson, Makay T Murray, Hannah X Glowacki, Stacey D Wetmore

Chem Sci· April 2025

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The need to implement FAIR principles in biomolecular simulations.
Rommie E Amaro, Johan Åqvist, Ivet Bahar, Federica Battistini, Adam Bellaiche, Stacey D Wetmore

Nat Methods· April 2025

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How Can One Metal Power Nucleic Acid Phosphodiester Bond Cleavage by a Nuclease? Multiscale Computational Studies Highlight a Diverse Mechanistic Landscape.
Dylan J Nikkel, Rajwinder Kaur, Stacey D Wetmore

J Phys Chem B· January 2025

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Neutral Adducts of Molybdenum Hexafluoride: Structure and Bonding in MoF(NCH) and MoF(NCH).
Miriam D van Hoeve, Rachael Bell, Felix O'Donnell, Paul Hazendonk, Stacey D Wetmore

Chemistry· December 2024

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Unlocking precision in aptamer engineering: a case study of the thrombin binding aptamer illustrates why modification size, quantity, and position matter.
Makay T Murray, Stacey D Wetmore

Nucleic Acids Res· October 2024

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Mechanism of Nucleic Acid Phosphodiester Bond Cleavage by Human Endonuclease V: MD and QM/MM Calculations Reveal a Versatile Metal Dependence.
Rajwinder Kaur, Dylan J Nikkel, Stacey D Wetmore

J Phys Chem B· October 2024

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Thieno[3,2-]thiophene for the Construction of Far-Red Molecular Rotor Hemicyanines as High-Affinity DNA Aptamer Fluorogenic Reporters.
Ryan E Johnson, Austin Pounder, Joshua van der Zalm, Aicheng Chen, Ian J Bell, Stacey D Wetmore

Anal Chem· October 2024

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Stable Interstrand Cross-Links Generated from the Repair of 1,-Ethenoadenine in DNA by α-Ketoglutarate/Fe(II)-Dependent Dioxygenase ALKBH2.
Jie Wang, Nathania A Takyi, Yun-Chung Hsiao, Qi Tang, Yi-Tzai Chen, Stacey D Wetmore

J Am Chem Soc· April 2024

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Fluoride-Ion Donor Properties of AsF.
Felix O'Donnell, Stacey D Wetmore, Michael Gerken

Inorg Chem· April 2024

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Elucidation of the catalytic mechanism of a single-metal dependent homing endonuclease using QM and QM/MM approaches: the case study of I-I.
Rajwinder Kaur, Angela Frederickson, Stacey D Wetmore

Phys Chem Chem Phys· March 2024

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

J Chem Inf Model· February 2024

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Introduction to the themed collection on .
Megan L O'Mara, Sarah Rauscher, Stacey D Wetmore

RSC Adv· February 2024

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Unlocking Pb Sensing Potential in a DNA G-Quadruplex via Loop Modification with Fluorescent Chalcone Surrogates.
Ryan E Johnson, Makay T Murray, Dylan J Roby, Lucas J Bycraft, Zachary R Churcher, Stacey D Wetmore

ACS Sens· December 2023

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Harnessing a 4-Formyl-Aniline Handle to Tune the Stability of a DNA Aptamer-Protein Complex via Fluorescent Surrogates.
Ryan E Johnson, Makay T Murray, Lucas J Bycraft, Peter Myler, Stacey D Wetmore

Bioconjug Chem· November 2023

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Generation of an accurate CCSD(T)/CBS data set and assessment of DFT methods for the binding strengths of group I metal-nucleic acid complexes.
Briana T A Boychuk, Sarah P Meyer, Stacey D Wetmore

Front Chem· November 2023

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Effect of Guanine Adduct Size, Shape, and Linker Type on the Conformation of Adducted DNA: A DFT and Molecular Dynamics Study.
Ye Eun Rebecca Jeong, Ryan W Kung, Janelle Bykowski, Trinity K Deak, Stacey D Wetmore

J Phys Chem B· October 2023

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Assessment of Density Functional Theory Methods for the Structural Prediction of Transition and Post-Transition Metal-Nucleic Acid Complexes.
Briana T A Boychuk, Stacey D Wetmore

J Chem Theory Comput· August 2023

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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.
Dylan J Nikkel, Stacey D Wetmore

J Am Chem Soc· June 2023

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