Stacey D Wetmore

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 57

Top Topics

Magnetic Nanoparticles

Molecular Dynamics

Top Venues

Chemical research in toxicology

Journal of chemical information and modeling

Journal of the American Chemical Society

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Rajwinder Kaur, Stacey D Wetmore
Is Metal Stabilization of the Leaving Group Required or Can Lysine Facilitate Phosphodiester Bond Cleavage in Nucleic Acids? A Computational Study of EndoV. Journal of chemical information and modeling 64 (3) (2024)
Jie Wang, Nathania A Takyi, Yun-Chung Hsiao, Qi Tang, Yi-Tzai Chen, Chih-Wei Liu, Jian Ma, Rui Qi, Ke Bian, Zhiyuan Peng, John M Essigmann, Kun Lu, Stacey D Wetmore, Deyu Li
Stable Interstrand Cross-Links Generated from the Repair of 1, N 6 -Ethenoadenine in DNA by α-Ketoglutarate/Fe(II)-Dependent Dioxygenase ALKBH2. Journal of the American Chemical Society 146 (15) (2024)
Rajwinder Kaur, Stacey D Wetmore
Is Metal Stabilization of the Leaving Group Required or Can Lysine Facilitate Phosphodiester Bond Cleavage in Nucleic Acids? A Computational Study of EndoV. Journal of chemical information and modeling 64 (3) (2024)
Rajwinder Kaur, Stacey D Wetmore
Is Metal Stabilization of the Leaving Group Required or Can Lysine Facilitate Phosphodiester Bond Cleavage in Nucleic Acids? A Computational Study of EndoV. Journal of chemical information and modeling 64 (3) (2024)
Rajwinder Kaur, Stacey D Wetmore
Is Metal Stabilization of the Leaving Group Required or Can Lysine Facilitate Phosphodiester Bond Cleavage in Nucleic Acids? A Computational Study of EndoV. Journal of chemical information and modeling (2024)
Jie Wang, Nathania A Takyi, Yun-Chung Hsiao, Qi Tang, Yi-Tzai Chen, Chih-Wei Liu, Jian Ma, Rui Qi, Ke Bian, Zhiyuan Peng, John M Essigmann, Kun Lu, Stacey D Wetmore, Deyu Li
Stable Interstrand Cross-Links Generated from the Repair of 1, N 6 -Ethenoadenine in DNA by α-Ketoglutarate/Fe(II)-Dependent Dioxygenase ALKBH2. Journal of the American Chemical Society 146 (15) (2024)
Rajwinder Kaur, Angela Frederickson, Stacey D Wetmore
Elucidation of the catalytic mechanism of a single-metal dependent homing endonuclease using QM and QM/MM approaches: the case study of I- Ppo I. Physical chemistry chemical physics : PCCP 26 (11) (2024)
Felix O'Donnell, Stacey D Wetmore, Michael Gerken
Fluoride-Ion Donor Properties of AsF 5 . Inorganic chemistry 63 (17) (2024)
Jie Wang, Nathania A Takyi, Yun-Chung Hsiao, Qi Tang, Yi-Tzai Chen, Chih-Wei Liu, Jian Ma, Rui Qi, Ke Bian, Zhiyuan Peng, John M Essigmann, Kun Lu, Stacey D Wetmore, Deyu Li
Stable Interstrand Cross-Links Generated from the Repair of 1, N 6 -Ethenoadenine in DNA by α-Ketoglutarate/Fe(II)-Dependent Dioxygenase ALKBH2. Journal of the American Chemical Society 146 (15) (2024)
Rajwinder Kaur, Stacey D Wetmore
Is Metal Stabilization of the Leaving Group Required or Can Lysine Facilitate Phosphodiester Bond Cleavage in Nucleic Acids? A Computational Study of EndoV. Journal of chemical information and modeling 64 (3) (2024)
Megan L O'Mara, Sarah Rauscher, Stacey D Wetmore
Introduction to the RSC Advances themed collection on New insights into biomolecular systems from large-scale simulations . RSC advances 14 (10) (2024)
Makay T Murray, Stacey D Wetmore
Unlocking precision in aptamer engineering: a case study of the thrombin binding aptamer illustrates why modification size, quantity, and position matter. Nucleic acids research (2024)
Rajwinder Kaur, Angela Frederickson, Stacey D Wetmore
Elucidation of the catalytic mechanism of a single-metal dependent homing endonuclease using QM and QM/MM approaches: the case study of I- Ppo I. Physical chemistry chemical physics : PCCP 26 (11) (2024)
Jie Wang, Nathania A Takyi, Yun-Chung Hsiao, Qi Tang, Yi-Tzai Chen, Chih-Wei Liu, Jian Ma, Rui Qi, Ke Bian, Zhiyuan Peng, John M Essigmann, Kun Lu, Stacey D Wetmore, Deyu Li
Stable Interstrand Cross-Links Generated from the Repair of 1, N 6 -Ethenoadenine in DNA by α-Ketoglutarate/Fe(II)-Dependent Dioxygenase ALKBH2. Journal of the American Chemical Society (2024)
Jie Wang, Nathania A Takyi, Yun-Chung Hsiao, Qi Tang, Yi-Tzai Chen, Chih-Wei Liu, Jian Ma, Rui Qi, Ke Bian, Zhiyuan Peng, John M Essigmann, Kun Lu, Stacey D Wetmore, Deyu Li
Stable Interstrand Cross-Links Generated from the Repair of 1, N 6 -Ethenoadenine in DNA by α-Ketoglutarate/Fe(II)-Dependent Dioxygenase ALKBH2. Journal of the American Chemical Society 146 (15) (2024)
Felix O'Donnell, Stacey D Wetmore, Michael Gerken
Fluoride-Ion Donor Properties of AsF 5 . Inorganic chemistry (2024)
Rajwinder Kaur, Angela Frederickson, Stacey D Wetmore
Elucidation of the catalytic mechanism of a single-metal dependent homing endonuclease using QM and QM/MM approaches: the case study of I- Ppo I. Physical chemistry chemical physics : PCCP (2024)
Jie Wang, Nathania A Takyi, Yun-Chung Hsiao, Qi Tang, Yi-Tzai Chen, Chih-Wei Liu, Jian Ma, Rui Qi, Ke Bian, Zhiyuan Peng, John M Essigmann, Kun Lu, Stacey D Wetmore, Deyu Li
Stable Interstrand Cross-Links Generated from the Repair of 1, N 6 -Ethenoadenine in DNA by α-Ketoglutarate/Fe(II)-Dependent Dioxygenase ALKBH2. Journal of the American Chemical Society 146 (15) (2024)
Dylan J Nikkel, Stacey D Wetmore
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. Journal of the American Chemical Society (2023)
Briana T A Boychuk, Stacey D Wetmore
Assessment of Density Functional Theory Methods for the Structural Prediction of Transition and Post-Transition Metal-Nucleic Acid Complexes. Journal of chemical theory and computation (2023)
Ryan E Johnson, Makay T Murray, Lucas J Bycraft, Stacey D Wetmore, Richard A Manderville
A modular aldol approach for internal fluorescent molecular rotor chalcone surrogates for DNA biosensing applications. Chemical science 14 (18) (2023)
Ryan E Johnson, Makay T Murray, Lucas J Bycraft, Stacey D Wetmore, Richard A Manderville
A modular aldol approach for internal fluorescent molecular rotor chalcone surrogates for DNA biosensing applications. Chemical science 14 (18) (2023)
Rajwinder Kaur, Mohamed M Aboelnga, Dylan J Nikkel, Stacey D Wetmore
The metal dependence of single-metal mediated phosphodiester bond cleavage: a QM/MM study of a multifaceted human enzyme. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Ryan W Kung, Nathania A Takyi, Stacey D Wetmore
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. Chemical research in toxicology 35 (3) (2022)
Katie A Wilson, Ye Eun Rebecca Jeong, Stacey D Wetmore
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 24 (18) (2022)
Rajwinder Kaur, Dylan J Nikkel, Mohamed M Aboelnga, Stacey D Wetmore
The Impact of DFT Functional, Cluster Model Size, and Implicit Solvation on the Structural Description of Single-Metal-Mediated DNA Phosphodiester Bond Cleavage: The Case Study of APE1. The journal of physical chemistry. B (2022)
Briana T A Boychuk, Ye Eun Rebecca Jeong, Stacey D Wetmore
Assessment of the Accuracy of DFT-Predicted Li+-Nucleic Acid Binding Energies. Journal of chemical theory and computation 17 (8) (2021)
Priya Bhutani, Makay T Murray, Craig W Sommer, Katie A Wilson, Stacey D Wetmore
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 34 (6) (2021)
Janelle Bykowski, Douglas Turnbull, Nolan Hahn, René T Boeré, Stacey D Wetmore, Michael Gerken
Lewis Acid Behavior of MoF5 and MoOF4: Syntheses and Characterization of MoF5(NCCH3), MoF5(NC5H5)n, and MoOF4(NC5H5)n (n = 1, 2). Inorganic chemistry 60 (20) (2021)
Ryan W Kung, Trinity K Deak, Cassidy A Griffith-Salik, Nathania A Takyi, Stacey D Wetmore
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. Journal of chemical information and modeling 61 (5) (2021)
Sarabjeet Kaur, Payal Grover, Stacey D Wetmore, Purshotam Sharma
Role of Stacking Interactions in the Stability of Primitive Genetics: A Quantum Chemical View. Journal of chemical information and modeling 61 (9) (2021)
Ye Eun Rebecca Jeong, Stefan A P Lenz, Stacey D Wetmore
DFT Study on the Deglycosylation of Methylated, Oxidized, and Canonical Pyrimidine Nucleosides in Water: Implications for Epigenetic Regulation and DNA Repair. The journal of physical chemistry. B 124 (12) (2020)
Karan Deep Sharma, Preetleen Kathuria, Stacey D Wetmore, Purshotam Sharma
Can modified DNA base pairs with chalcogen bonding expand the genetic alphabet? A combined quantum chemical and molecular dynamics simulation study. Physical chemistry chemical physics : PCCP 22 (41) (2020)
Trevor W Manning, M Sameer Al-Abdul-Wahid, Richard A Manderville, P David Josephy, Ryan W Kung, Stacey D Wetmore
Structure of an Unusual Tetracyclic Deoxyguanosine Adduct: Implications for Frameshift Mutagenicity of ortho-Cyano Nitroanilines. Chemical research in toxicology 33 (2) (2020)
Preethi P Seelam, Nathania A Takyi, Stacey D Wetmore
Posttranscriptional modifications at the 37th position in the anticodon stem-loop of tRNA: structural insights from MD simulations. RNA (New York, N.Y.) 27 (2) (2020)
Micaela D Gray, Prashant S Deore, Andrew J Chung, Abigail J Van Riesen, Richard A Manderville, Preethi Seelam Prabhakar, Stacey D Wetmore
Lighting Up the Thrombin-Binding Aptamer G-Quadruplex with an Internal Cyanine-Indole-Quinolinium Nucleobase Surrogate. Direct Fluorescent Intensity Readout for Thrombin Binding without Topology Switching. Bioconjugate chemistry 31 (11) (2020)
Douglas Turnbull, Paul Hazendonk, Stacey D Wetmore, Michael Gerken
Stabilisation of [WF5 ]+ and WF5 by Pyridine: Facile Access to [WF5 (NC5 H5 )3 ]+ and WF5 (NC5 H5 )2. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (30) (2020)
Preetleen Kathuria, Prebhleen Singh, Purshotam Sharma, Stacey D Wetmore
Replication of the Aristolochic Acid I Adenine Adduct (ALI-N6-A) by a Model Translesion Synthesis DNA Polymerase: Structural Insights on the Induction of Transversion Mutations from Molecular Dynamics Simulations. Chemical research in toxicology 33 (10) (2020)
Douglas Turnbull, Praveen Chaudhary, Dakota Leenstra, Paul Hazendonk, Stacey D Wetmore, Michael Gerken
Reactions of Molybdenum and Tungsten Oxide Tetrafluoride with Sulfur(IV) Lewis Bases: Structure and Bonding in [WOF4]4, MOF4(OSO), and [SF3][M2O2F9] (M = Mo, W). Inorganic chemistry 59 (23) (2020)
Douglas Turnbull, Stacey D Wetmore, Michael Gerken
Synthesis, Characterization, and Lewis Acid Behavior of [W(NC6F5)F4] x and Computational Study of W(NR)F4 (R = H, F, CH3, CF3, C6H5, C6F5), W(NC6F5)F4(NCCH3), and W(NC6F5)F4(NC5H5) n ( n = 1, 2). Inorganic chemistry 58 (9) (2019)
Preethi P Seelam, Richard A Manderville, Stacey D Wetmore
Impact of the Position of the Chemically Modified 5-Furyl-2'-Deoxyuridine Nucleoside on the Thrombin DNA Aptamer-Protein Complex: Structural Insights into Aptamer Response from MD Simulations. Molecules (Basel, Switzerland) 24 (16) (2019)
Mohamed M Aboelnga, Stacey D Wetmore
Unveiling a Single-Metal-Mediated Phosphodiester Bond Cleavage Mechanism for Nucleic Acids: A Multiscale Computational Investigation of a Human DNA Repair Enzyme. Journal of the American Chemical Society 141 (21) (2019)
Preetleen Kathuria, Prebhleen Singh, Purshotam Sharma, Richard A Manderville, Stacey D Wetmore
Molecular Dynamics Study of One-Base Deletion Duplexes Containing the Major DNA Adduct Formed by Ochratoxin A: Effects of Sequence Context and Adduct Ionization State on Lesion Site Structure and Mutagenicity. The journal of physical chemistry. B 123 (32) (2019)
Katie A Wilson, Josh L Garden, Natasha T Wetmore, Lindey R Felske, Stacey D Wetmore
DFT and MD Studies of Formaldehyde-Derived DNA Adducts: Molecular-Level Insights into the Differential Mispairing Potentials of the Adenine, Cytosine, and Guanine Lesions. The journal of physical chemistry. A 123 (29) (2019)
Andrew J Chung, Prashant S Deore, M Sameer Al-Abdul-Wahid, Mohamed M Aboelnga, Stacey D Wetmore, Richard A Manderville
Acceptor Influence on Thiolate Sensing by Hemicyanine Dyes. The Journal of organic chemistry 84 (4) (2019)
Priya Bhutani, Dylan J Nikkel, Katie A Wilson, Stacey D Wetmore
Computational Insight into the Differential Mutagenic Patterns of O-Methylthymine Lesions. Chemical research in toxicology 32 (10) (2019)
Shahin Sowlati-Hashjin, Stacey D Wetmore
Structural Insight into the Discrimination between 8-Oxoguanine Glycosidic Conformers by DNA Repair Enzymes: A Molecular Dynamics Study of Human Oxoguanine Glycosylase 1 and Formamidopyrimidine-DNA Glycosylase. Biochemistry 57 (7) (2018)
Preetleen Kathuria, Purshotam Sharma, Richard A Manderville, Stacey D Wetmore
Molecular Dynamics Simulations of Mismatched DNA Duplexes Associated with the Major C8-Linked 2'-Deoxyguanosine Adduct of the Food Mutagen Ochratoxin A: Influence of Opposing Base, Adduct Ionization State, and Sequence on the Structure of Damaged DNA. Chemical research in toxicology 31 (8) (2018)
Ryan W Kung, Purshotam Sharma, Stacey D Wetmore
Effect of Size and Shape of Nitrogen-Containing Aromatics on Conformational Preferences of DNA Containing Damaged Guanine. Journal of chemical information and modeling 58 (7) (2018)
Stefan A P Lenz, Stacey D Wetmore
Structural explanation for the tunable substrate specificity of an E. coli nucleoside hydrolase: insights from molecular dynamics simulations. Journal of computer-aided molecular design 32 (12) (2018)
Katie A Wilson, Stacey D Wetmore
Molecular Insights into the Translesion Synthesis of Benzyl-Guanine from Molecular Dynamics Simulations: Structural Evidence of Mutagenic and Nonmutagenic Replication. Biochemistry 56 (13) (2017)
Douglas Turnbull, Stacey D Wetmore, Michael Gerken
Syntheses and Characterization of W(NC6F5)F5- and W2(NC6F5)2F9- Salts and Computational Studies of the W(NR)F5- (R = H, F, CH3, CF3, C6H5, C6F5) and W2(NC6F5)2F9- Anions. Inorganic chemistry 56 (20) (2017)
Stefan A P Lenz, Stacey D Wetmore
QM/MM Study of the Reaction Catalyzed by Alkyladenine DNA Glycosylase: Examination of the Substrate Specificity of a DNA Repair Enzyme. The journal of physical chemistry. B 121 (49) (2017)
Lindey R Felske, Stefan A P Lenz, Stacey D Wetmore
Quantum Chemical Studies of the Structure and Stability of N-Methylated DNA Nucleobase Dimers: Insights into the Mutagenic Base Pairing of Damaged DNA. The journal of physical chemistry. A 122 (1) (2017)
Katie A Wilson, Stacey D Wetmore
Conformational Flexibility of the Benzyl-Guanine Adduct in a Bypass Polymerase Active Site Permits Replication: Insights from Molecular Dynamics Simulations. Chemical research in toxicology 30 (11) (2017)
Preetleen Kathuria, Purshotam Sharma, Richard A Manderville, Stacey D Wetmore
Molecular Modeling of the Major DNA Adduct Formed from Food Mutagen Ochratoxin A in NarI Two-Base Deletion Duplexes: Impact of Sequence Context and Adduct Ionization on Conformational Preference and Mutagenicity. Chemical research in toxicology 30 (8) (2017)
Florence D Berger, Shana J Sturla, Ryan W Kung, Tony Montina, Stacey D Wetmore, Richard A Manderville
Conformational Preference and Fluorescence Response of a C-Linked C8-Biphenyl-Guanine Lesion in the NarI Mutational Hotspot: Evidence for Enhanced Syn Adduct Formation. Chemical research in toxicology 31 (1) (2017)