Computational studies and peptidomimetic design for the human p53-MDM2 complex.

  title={Computational studies and peptidomimetic design for the human p53-MDM2 complex.},
  author={Haizhen Zhong and Heather A. Carlson},
  volume={58 1},
The interaction between human p53 and MDM2 is a key event in controlling cell growth. Many studies have suggested that a p53 mimic would be sufficient to inhibit MDM2 to reduce cell growth in cancerous tissue. In order to design a potent p53 mimic, molecular dynamics (MD) simulations were used to examine the binding interface and the effect of mutating key residues in the human p53-MDM2 complex. The Generalized Born surface area (GBSA) method was used to estimate free energies of binding, and a… CONTINUE READING

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