Negi, Indu, Kathuria, Preetleen, Sharma, Purshotam, Wetmore, Stacey D. (2017) How do hydrophobic nucleobases differ from natural DNA nucleobases? Comparison of structural features and duplex properties from QM calculations and MD simulations. Physical Chemistry Chemical Physics, 19 (25). 16365-16374 doi:10.1039/c7cp02576a

See Also

These are possibly similar items as determined by title/reference text matching only.

	Sharma, Karan Deep, Kathuria, Preetleen, Wetmore, Stacey D., Sharma, Purshotam (2020) 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, 22 (41) 23754-23765 doi:10.1039/d0cp04921b
	McConnell, Tom L., Wetmore, Stacey D. (2007) How Do Size-Expanded DNA Nucleobases Enhance Duplex Stability? Computational Analysis of the Hydrogen-Bonding and Stacking Ability of xDNA Bases. The Journal of Physical Chemistry B, 111 (11). 2999-3009 doi:10.1021/jp0670079
	Rutledge, Lesley R., Durst, Holly F., Wetmore, Stacey D. (2008) Computational comparison of the stacking interactions between the aromatic amino acids and the natural or (cationic) methylated nucleobases. Physical Chemistry Chemical Physics, 10 (19). 2801pp. doi:10.1039/b718621e
	Kaur, Sarabjeet, Sharma, Purshotam, Wetmore, Stacey D. (2017) Structural and electronic properties of barbituric acid and melamine-containing ribonucleosides as plausible components of prebiotic RNA: implications for prebiotic self-assembly. Physical Chemistry Chemical Physics, 19 (45). 30762-30771 doi:10.1039/c7cp06123d
	Kathuria, Preetleen, Singh, Prebhleen, Sharma, Purshotam, Manderville, Richard A., Wetmore, Stacey D. (2019) 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). 6980-6989 doi:10.1021/acs.jpcb.9b06489
	Sharma, Purshotam, Lait, Linda A., Wetmore, Stacey D. (2013) Exploring the limits of nucleobase expansion: computational design of naphthohomologated (xx-) purines and comparison to the natural and xDNA purines. Physical Chemistry Chemical Physics, 15 (37). 15538pp. doi:10.1039/c3cp52656a
	Nikkel, Dylan J.; Mansour, Basel; Fjordbotten, Ryan; Wetmore, Stacey D. (2026) Decoding the Catalytic Strategy for DNA Alkylation Repair by AlkA: Insights from MD Simulations and QM/MM Calculations. The Journal of Physical Chemistry B, 130 (13). doi:10.1021/acs.jpcb.6c00121
	Nikkel, Dylan J., Wetmore, Stacey D. (2023) 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, 145 (24) 13114-13125 doi:10.1021/jacs.3c01773
	Bardon, Alma B., Wetmore, Stacey D. (2005) How Flexible Are Fleximer Nucleobases? A Computational Study. The Journal of Physical Chemistry A, 109 (1). 262-272 doi:10.1021/jp046957w
	LaPointe, Shenna M., Wetmore, Stacey D. (2005) Characterization of the binding interactions between a unique class of modified purines and the natural nucleobases. Chemical Physics Letters, 408. 322-328 doi:10.1016/j.cplett.2005.04.039
	Negi, Indu, Jangra, Raman, Gharu, Amit, Trant, John F., Sharma, Purshotam (2023) Guanidinium–amino acid hydrogen-bonding interactions in protein crystal structures: implications for guanidinium-induced protein denaturation. Physical Chemistry Chemical Physics, 25 (1) 857-869 doi:10.1039/d2cp04943k