Final Settings

Fine-tuning the binding site box

• After configuring the binding site box, you can also adjust its location and size in the Box size information section.

• You can directly input numbers for Center and Box size by clicking on them, or adjust the values in 1.0 Å increments by clicking the up and down arrows to the right of each number.

It's advisable to define the size of the box that determines the binding site by considering the size of the molecule you want to predict. We recommend using the default settings for defining the binding site using a typical protein-drug binding structure.