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Biochemistry
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March 12, 2015
Conformational preferences of DNA following damage by aristolochic acids: Structural and energetic insights into the different mutagenic potential of the ALI and ALII-N(6)-dA adducts
Preetleen Kathuria, Purshotam Sharma, Minette N Abendong, et al.
The Journal of Physical Chemistry. B
|
March 24, 2026
Decoding the Catalytic Strategy for DNA Alkylation Repair by AlkA: Insights from MD Simulations and QM/MM Calculations
Dylan J Nikkel, Basel Mansour, Ryan Fjordbotten, et al.
Chemical Research in Toxicology
|
November 9, 2011
Formation mechanism and structure of a guanine-uracil DNA intrastrand cross-link
Cassandra D M Churchill, Leif A Eriksson, Stacey D Wetmore
The Journal of Physical Chemistry. B
|
November 22, 2012
Glycosidic bond cleavage in deoxynucleotides: effects of solvent and the DNA phosphate backbone in the computational model
Stefan A P Lenz, Jennifer L Kellie, Stacey D Wetmore
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2020
Can modified DNA base pairs with chalcogen bonding expand the genetic alphabet? A combined quantum chemical and molecular dynamics simulation study
Karan Deep Sharma, Preetleen Kathuria, Stacey D Wetmore, et al.
Chemical Research in Toxicology
|
July 19, 2017
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
Preetleen Kathuria, Purshotam Sharma, Richard A Manderville, et al.
Chemical Research in Toxicology
|
June 21, 2018
Molecular Dynamics Simulations of Mismatched DNA Duplexes Associated with the Major C<sup>8</sup>-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
Preetleen Kathuria, Purshotam Sharma, Richard A Manderville, et al.
The Journal of Physical Chemistry. B
|
December 9, 2022
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
Rajwinder Kaur, Dylan J Nikkel, Mohamed M Aboelnga, et al.
Inorganic Chemistry
|
February 19, 2021
Chalcogen versus Dative Bonding in [SF<sub>3</sub>]<sup>+</sup> Lewis Acid-Base Adducts: [SF<sub>3</sub>(NCCH<sub>3</sub>)<sub>2</sub>]<sup>+</sup>, [SF<sub>3</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>]<sup>+</sup>, and [SF<sub>3</sub>(phen)]<sup>+</sup> (phen = 1,10-phenanthroline)
Douglas Turnbull, Praveen Chaudhary, Paul Hazendonk, et al.
Journal of Chemical Theory and Computation
|
August 2, 2021
Assessment of the Accuracy of DFT-Predicted Li<sup>+</sup>-Nucleic Acid Binding Energies
Briana T A Boychuk, Ye Eun Rebecca Jeong, Stacey D Wetmore
Page
of 17
Search research articles
Search
Showing results (91-100 of 161) with videos related to
Sort By:
Page
of 17
Biochemistry
|
March 12, 2015
Conformational preferences of DNA following damage by aristolochic acids: Structural and energetic insights into the different mutagenic potential of the ALI and ALII-N(6)-dA adducts
Preetleen Kathuria, Purshotam Sharma, Minette N Abendong, et al.
The Journal of Physical Chemistry. B
|
March 24, 2026
Decoding the Catalytic Strategy for DNA Alkylation Repair by AlkA: Insights from MD Simulations and QM/MM Calculations
Dylan J Nikkel, Basel Mansour, Ryan Fjordbotten, et al.
Chemical Research in Toxicology
|
November 9, 2011
Formation mechanism and structure of a guanine-uracil DNA intrastrand cross-link
Cassandra D M Churchill, Leif A Eriksson, Stacey D Wetmore
The Journal of Physical Chemistry. B
|
November 22, 2012
Glycosidic bond cleavage in deoxynucleotides: effects of solvent and the DNA phosphate backbone in the computational model
Stefan A P Lenz, Jennifer L Kellie, Stacey D Wetmore
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2020
Can modified DNA base pairs with chalcogen bonding expand the genetic alphabet? A combined quantum chemical and molecular dynamics simulation study
Karan Deep Sharma, Preetleen Kathuria, Stacey D Wetmore, et al.
Chemical Research in Toxicology
|
July 19, 2017
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
Preetleen Kathuria, Purshotam Sharma, Richard A Manderville, et al.
Chemical Research in Toxicology
|
June 21, 2018
Molecular Dynamics Simulations of Mismatched DNA Duplexes Associated with the Major C<sup>8</sup>-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
Preetleen Kathuria, Purshotam Sharma, Richard A Manderville, et al.
The Journal of Physical Chemistry. B
|
December 9, 2022
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
Rajwinder Kaur, Dylan J Nikkel, Mohamed M Aboelnga, et al.
Inorganic Chemistry
|
February 19, 2021
Chalcogen versus Dative Bonding in [SF<sub>3</sub>]<sup>+</sup> Lewis Acid-Base Adducts: [SF<sub>3</sub>(NCCH<sub>3</sub>)<sub>2</sub>]<sup>+</sup>, [SF<sub>3</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>]<sup>+</sup>, and [SF<sub>3</sub>(phen)]<sup>+</sup> (phen = 1,10-phenanthroline)
Douglas Turnbull, Praveen Chaudhary, Paul Hazendonk, et al.
Journal of Chemical Theory and Computation
|
August 2, 2021
Assessment of the Accuracy of DFT-Predicted Li<sup>+</sup>-Nucleic Acid Binding Energies
Briana T A Boychuk, Ye Eun Rebecca Jeong, Stacey D Wetmore
Page
of 17