A cellular automata model of the hydrophobic effect.
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.
Kier
L B
LB
Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond, USA.
Cheng
C K
CK
Testa
B
B
Carrupt
P A
PA
D008956:Models, Chemical; D012995:Solubility; D014867:Water
D014867:Water