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MMGBSA Δ G binding energy calculations for tafamidis–calf thymus DNA ( 3EY0 ) complex.

Journal: RSC Advances

Article Title: Deciphering the binding mechanism of tafamidis to calf thymus DNA: multimodal spectroscopic, thermodynamic, and computational perspectives

doi: 10.1039/d5ra04723d

Figure Lengend Snippet: MMGBSA Δ G binding energy calculations for tafamidis–calf thymus DNA ( 3EY0 ) complex.

Article Snippet: Molecular dynamics simulations demonstrated the structural stability of the TAF–DNA complex, while MMGBSA calculations revealed consistent binding free energies throughout the simulation time.

Techniques: Binding Assay