Molecular Dynamics Simulations of Water/Mucus Partition Coefficients for Feeding Stimulants in Fish and the Implications for Olfaction
Figure 2
Molecular dynamics model of alanine in mucus.
The computational box contains an alanine molecule (the amino acid odorant) immersed in a simplified olfactory mucus phase, consisting of N-acetylneuraminic acid in a bath of water.