The stability of the complexes was investigated with RMSD analysis using the VMD program. In this analysis, simulation trajectory is aligned on p53 initial structure, and then RMSD calculation was performed for the Tat protein to see the stability of the Tat binding. A python library PyContact is used to extract information about the atomistic interactions formed between p53 and Tat . Hydrogen bond analysis between p53 and Tat was performed using VMD program with default parameters (3Å for Donor-Acceptor distance and 20 for Angle Cutoff degree).