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

See Also

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

	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
	Kaur, Rajwinder, Nikkel, Dylan J., Wetmore, Stacey D. (2024) Mechanism of Nucleic Acid Phosphodiester Bond Cleavage by Human Endonuclease V: MD and QM/MM Calculations Reveal a Versatile Metal Dependence. The Journal of Physical Chemistry B, 128 (39). doi:10.1021/acs.jpcb.4c05846
	Garrec, Julian, Patel, Chandan, Rothlisberger, Ursula, Dumont, Elise (2012) Insights into Intrastrand Cross-Link Lesions of DNA from QM/MM Molecular Dynamics Simulations. Journal Of The American Chemical Society, 134 (4) 2111-2119 doi:10.1021/ja2084042
	Lenz, Stefan A. P., Wetmore, Stacey D. (2017) 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). 11096-11108 doi:10.1021/acs.jpcb.7b09646
	Dangat, Yuvraj, Freindorf, Marek, Kraka, Elfi (2024) Mechanistic Insights into S-Depalmitolyse Activity of Cln5 Protein Linked to Neurodegeneration and Batten Disease: A QM/MM Study. Journal of the American Chemical Society, 146 (1) 145-158 doi:10.1021/jacs.3c06397
	Aboelnga, Mohamed M., Wetmore, Stacey D. (2019) 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) 8646-8656 doi:10.1021/jacs.9b03986
	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
	Wen, Tingyu, Kermarrec, Maxime, Dumont, Elise, Gillet, Natacha, Greenberg, Marc M. (2023) DNA–Histone Cross-Link Formation via Hole Trapping in Nucleosome Core Particles. Journal of the American Chemical Society, 145 (43) 23702-23714 doi:10.1021/jacs.3c08135
	Senn, Hans Martin, O'Hagan, David, Thiel, Walter (2005) Insight into Enzymatic C−F Bond Formation from QM and QM/MM Calculations. Journal Of The American Chemical Society, 127 (39) 13643-13655 doi:10.1021/ja053875s
	Zhou, Zehui; Yu, Hanrui; Greenberg, Marc M. (2026) Protein–Protein Cross-Linking by a DNA Damage-Derived Histone Modification. Journal of the American Chemical Society, 148 (16). doi:10.1021/jacs.6c03639
	Zhong, Wenrui, Sczepanski, Jonathan T. (2023) Chimeric d/l-DNA Probes of Base Excision Repair Enable Real-Time Monitoring of Thymine DNA Glycosylase Activity in Live Cells. Journal of the American Chemical Society, 145 (31) American Chemical Society (ACS) 17066-17074 doi:10.1021/jacs.3c03010