On the Dimers Stability of Allicin and Its Derivatives Interacting with AT, GC, and DNA Bridge: DFT Study

<div>Investigated complex structures: allicin cases with G-C base pair (a), A-T base pair (b), and bridge of base pairs (c) after optimizations. X shows the initial position before optimization. Positions 1, 2, and 3 represent the pattern of artificial made initial model structures and its complexes. Similar complexes modeled with all interacting structures.</div>

Journal of Chemistry

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Figure 2: On the Dimers Stability of Allicin and Its Derivatives Interacting with AT, GC, and DNA Bridge: DFT Study 