Hydrogen Bond Dynamic Propensity Studies for Protein Binding and Drug Design

@inproceedings{Menndez2016HydrogenBD,
  title={Hydrogen Bond Dynamic Propensity Studies for Protein Binding and Drug Design},
  author={Cintia A. Men{\'e}ndez and Sebasti{\'a}n R. Accordino and Dar{\'i}o C. Gerbino and Gustavo A. Appignanesi},
  booktitle={PloS one},
  year={2016}
}
We study the dynamic propensity of the backbone hydrogen bonds of the protein MDM2 (the natural regulator of the tumor suppressor p53) in order to determine its binding properties. This approach is fostered by the observation that certain backbone hydrogen bonds at the p53-binding site exhibit a dynamical propensity in simulations that differs markedly form… CONTINUE READING