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A cellular automata model of the hydrophobic effect
1Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond, USA.
Pharmaceutical Research
|April 1, 1995
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.