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List of works by Stacey D. Wetmore

A QM/QM Investigation of the hUNG2 Reaction Surface: The Untold Tale of a Catalytic Residue ⬇️

scientific article published on April 20, 2011

A computational proposal for the experimentally observed discriminatory behavior of hypoxanthine, a weak universal nucleobase ⬇️

scientific article published on January 23, 2012

Acceptor Influence on Thiolate Sensing by Hemicyanine Dyes

scientific article published on 01 February 2019

Assessment of the Accuracy of DFT-Predicted Li<sup>+</sup>–Nucleic Acid Binding Energies

scientific article published on 02 August 2021

C8-Heteroaryl-2′-deoxyguanosine Adducts as Conformational Fluorescent Probes in the NarI Recognition Sequence ⬇️

scientific article published on November 27, 2012

C8-Linked Bulky Guanosine DNA Adducts: Experimental And Computational Insights Into Adduct Conformational Preferences And Resulting Mutagenicity ⬇️

scientific article published on October 1, 2012

Can modified DNA base pairs with chalcogen bonding expand the genetic alphabet? A combined quantum chemical and molecular dynamics simulation study

scientific article published on 16 October 2020

Combined Effects of π–π Stacking and Hydrogen Bonding on the (N1) Acidity of Uracil and Hydrolysis of 2′-Deoxyuridine ⬇️

scientific article published on February 22, 2012

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

scientific article published on 06 September 2019

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

scientific article published on 15 August 2017

Conformational Preference and Fluorescence Response of a C-Linked C8-Biphenyl-Guanine Lesion in the NarI Mutational Hotspot: Evidence for Enhanced Syn Adduct Formation.

scientific article

Conformational Preference of Fused Carbohydrate-Templated Proline Analogues—A Computational Study ⬇️

scientific article published on December 27, 2012

Conformational Study of the Hydroxyproline–O–Glycosidic Linkage: Sugar–Peptide Orientation and Prolyl Amide Isomerization in (α/β)–Galactosylated 4(R/S)–Hydroxyproline ⬇️

scientific article published on January 4, 2012

DFT Study on the Deglycosylation of Methylated, Oxidized, and Canonical Pyrimidine Nucleosides in Water: Implications for Epigenetic Regulation and DNA Repair

scientific article published on 13 March 2020

DFT and MD Studies of Formaldehyde-Derived DNA Adducts: Molecular-Level Insights into the Differential Mispairing Potentials of the Adenine, Cytosine, and Guanine Lesions

scientific article published on 15 July 2019

Effect of Size and Shape of Nitrogen-Containing Aromatics on Conformational Preferences of DNA Containing Damaged Guanine

scientific article published on 06 July 2018

Effects of Extending the Computational Model on DNA–Protein T-shaped Interactions: The Case of Adenine–Histidine Dimers ⬇️

scientific article published on 07 June 2011

Exploring the limits of nucleobase expansion: computational design of naphthohomologated (xx-) purines and comparison to the natural and xDNA purines ⬇️

scientific article published on October 7, 2013

Fluorescent Properties and Conformational Preferences of C-Linked Phenolic-DNA Adducts ⬇️

scientific article published on September 25, 2011

Glycosidic Bond Cleavage in Deoxynucleotides: Effects of Solvent and the DNA Phosphate Backbone in the Computational Model ⬇️

scientific article published on November 30, 2012

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

scientific article published on 10 August 2019

Influence of Chlorine Substitution on the Hydrolytic Stability of Biaryl Ether Nucleoside Adducts Produced by Phenolic Toxins ⬇️

scientific article published on July 2, 2013

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

scientific article published on 06 November 2020

Mechanistic and Conformational Flexibility of the Covalent Linkage Formed during β-Lyase Activity on an AP-Site: Application to hOgg1 ⬇️

scientific article published on August 22, 2012

Modeling the Chemical Step Utilized by Human Alkyladenine DNA Glycosylase: A Concerted Mechanism Aids in Selectively Excising Damaged Purines ⬇️

scientific article published on September 21, 2011

Modeling the Conformational Preference of the Carbon-Bonded Covalent Adduct Formed upon Exposure of 2′-Deoxyguanosine to Ochratoxin A ⬇️

scientific article published on April 23, 2013

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 DN

scientific article published on 06 July 2018

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

scientific article published on 02 August 2019

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

scientific article

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

scientific article

Post-transcriptional modifications at the 37th position in the anticodon stem loop of tRNA: Structural insights from MD simulations

scientific article published on 19 November 2020

QM/MM Study of the Reaction Catalyzed by Alkyladenine DNA Glycosylase: Examination of the Substrate Specificity of a DNA Repair Enzyme.

scientific article published on 17 November 2017

Quantum Chemical Studies of the Structure and Stability of N-Methylated DNA Nucleobase Dimers: Insights into the Mutagenic Base Pairing of Damaged DNA.

scientific article published on 30 November 2017

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)

scientific article published on 17 November 2020

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

scientific article published in 2021

Solvent Interactions Stabilize the Polyproline II Conformation of Glycosylated Oligoprolines ⬇️

scientific article published on February 21, 2013

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

scientific article published on 10 January 2018

Structural explanation for the tunable substrate specificity of an E. coli nucleoside hydrolase: insights from molecular dynamics simulations

scientific article published on 26 November 2018

Structure of an Unusual Tetracyclic Deoxyguanosine Adduct: Implications for Frameshift Mutagenicity of ortho-Cyano Nitroanilines

scientific article published on 09 January 2020

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.

scientific article

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)

scientific article published on 16 April 2019

Unveiling a Single-Metal-Mediated Phosphodiester Bond Cleavage Mechanism for Nucleic Acids: A Multiscale Computational Investigation of a Human DNA Repair Enzyme

scientific article published on 14 May 2019

yDNA versus yyDNA pyrimidines: computational analysis of the effects of unidirectional ring expansion on the preferred sugar–base orientation, hydrogen-bonding interactions and stacking abilities ⬇️

scientific article published on January 10, 2013

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