The Phospholiphase A2 enzyme is thought to be involved in the breakdown of phospholipids, important components in living systems. This study was undertaken to show that theoretical methods can be successfully applied to drug design. Analysis of the geometries of a number of proteins suggested one key structural component. Quantum mechanical calculations not only supported these findings, but were also able to offer a simple explanation for this phenomenon. Quantum mechanical calculations on a number of simple sugars provided an explanation of the relative sweetness of these compounds.
Carotenoids are light-gathering agents in the pigments of eyes.
In order to understand the efficiency of these compounds in transferring light energy, a theoretical study using the AM1 method was performed. The explanation for the high efficiency of this process obtained from these calculations was in agreement with the results of experimental studies. These three references describe computational work on defining the sweet receptor and investigating compounds to interact with it more advantageously.