A cellular automata model of the hydrophobic effect

Pharm Res. 1995 Apr;12(4):615-20. doi: 10.1023/a:1016278618826.

Abstract

Dynamic simulations of solute molecules in water are made using cellular automata. By varying the parameter governing the breaking probability of water-solute tesselated pairs, sets of configurations were modeled of solutions ranging from polar to non-polar solutes. The emergent behavior of the non-polar solute models leads us to believe that this is a possible model of the hydrophobic effect.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Models, Chemical
  • Solubility*
  • Water

Substances

  • Water