Novel computational and drug design strategies for inhibition of human papillomavirus-associated cervical cancer and DNA polymerase theta receptor by Apigenin derivatives.

Whereas, the RMSD for the backbone atom of the Apigenin-5-O-beta- d -glucopyranoside complex concerning initial position quickly increased within the 20 ns run time and maintained a slightly non-significant fluctuation around 20 and 60 ns, where the following trajectories proceeded to drop slightly values till the end of the MD simulation.

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