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A cellular automata model of the hydrophobic effect

Kier, Lemont B.
Cheng, Chao-Kun
Testa, Bernard
Published in Pharmaceutical research. 1995, vol. 12, no. 4, p. 615-620
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.
Keywords Models, ChemicalSolubilityWater
PMID: 7597001
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KIER, Lemont B. et al. A cellular automata model of the hydrophobic effect. In: Pharmaceutical research, 1995, vol. 12, n° 4, p. 615-620.

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Deposited on : 2010-08-06

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