Fig. 2From: Development of a group contribution method for estimating free energy of peptides in a dodecane-water system via molecular dynamic simulationsConstruction of the forty simulation boxes. The left side of the figure represents the single amino acid box construction where each amino acid was simulated in the interface dodecane-water. The right side of the figure represents the pair in the simulation box, where all the combinations were constructed using Alanine and other amino acidBack to article page