Key Role of Local Regulation in Chemosensing Revealed by a New Molecular Interaction-Based Modeling Method
Figure 3
Defining Quantitative Interactions between Molecular Binding Sites Using Simmune (Screenshot)
The screenshot of Simmune's modeling interface shows the graphical representations of PI3K and PIP2 and the binding sites through which they interact, as well as the sites of membrane attachment. The turquoise circle around the upper binding site of PI3K identifies it as an enzymatically active site. The dotted line represents the possibility of a binding interaction between these two molecules. Selecting the interaction by clicking on the handle on the dotted line allows entry of the relevant binding parameters.