Hydration of hydrophobic biological porphyrins.

  title={Hydration of hydrophobic biological porphyrins.},
  author={Teobaldo Ricardo Cuya Guizado and Sonia Renaux Wanderley Louro and Celia Anteneodo},
  journal={The Journal of chemical physics},
  volume={134 5},
Explicit solvent, single solute molecular dynamics simulations of protoporphyrin IX and its Fe(2+) complex (heme) in water were performed. The relation of solute-solvent was examined through the spatial distribution functions of water molecules around the centroid of the porphyrin ring. A detailed description of the time-averaged structure of water surrounding the solutes as well as of its fluctuations is presented. 

From This Paper

Figures, tables, and topics from this paper.

Similar Papers

Loading similar papers…