A computational analysis for amino acid adsorption

The results show that the model produces excellent qualitative results regarding inter-molecular configuration. Using the AMBER3 force field and methionine in its zwitterionic state adsorbed on a single graphite sheet leads to results which clearly resemble the experimental results and show hydrogen bonding between neighboring methionine molecules through the amino and carboxyl groups. Dimers are formed when two molecules are anti-parallel to each other, and parallel molecules are the building blocks of molecular rows.