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