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Effect of Guanine Adduct Size, Shape, and Linker Type on the Conformation of Adducted DNA: A DFT and Molecular Dynamics Study.
J Phys Chem B. 2023 Oct 26;127(42):9035-9049. doi: 10.1021/acs.jpcb.3c04864. Epub 2023 Oct 13.
J Phys Chem B. 2023.
PMID: 37831812
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.
Kung RW, Deak TK, Griffith-Salik CA, Takyi NA, Wetmore SD.
Kung RW, et al. Among authors: deak tk.
J Chem Inf Model. 2021 May 24;61(5):2313-2327. doi: 10.1021/acs.jcim.1c00202. Epub 2021 May 12.
J Chem Inf Model. 2021.
PMID: 33977716
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