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Synthesis and Characterization of Multi-Modal Phase-Change Porphyrin Droplets
Published on: October 15, 2021
Hydration of hydrophobic biological porphyrins
T R Cuya Guizado1, S R W Louro, C Anteneodo
1Departamento de Física, PUC-Rio, Rio de Janeiro, Brazil. teobaldo.ricardo@fis.puc-rio.br
The Journal of Chemical Physics
|February 10, 2011
Abstract:
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.

