| Abstract: | Intermediate water structures in a solution of Nα-acetyl-N-methylphenylalaninamidePhe(amide)2] were investigated by the energy minimization method. The results show that ninety-eight water molecules hydrate Phe(amide)2 and several kinds of cyclic structures are observed. The distribution of water molecules around Phe(amide)2 agrees with the results of molecular dynamics and monte carlo studies. The distribution of cyclic structures shows that the six-membered ones are distributed mainly at the outside of the first hydration shell. |
