Theoretical Study of the Solvent Effect on the Stability Energies of Serine and Threonine Amino Acids

The Stability Energies of Serine and Threonine Amino Acids were theoretically studied at different solvent by using Gaussian 03 software. First, the structural optimization of isolated Serine and Threonine were done in gas phase by using the Hartree-Fock (HF) level of theory with 3-21G, 6-31G and 6-311G basis sets.Then, the calculation about the solvent effect on the stability energies of Serine and Threonine were performed for the three solvents using (SCRF=PCM) model at HF/6-311G and then the dielectric effects of the surrounding and the solvent effects on the stability energies of Serine and Threonine Amino Acids were discussed

Keywords:

Seine , Threonine , Solvent effects , PCM model , HF-calculations