Overview

What is small molecule binding?

Small molecule binding is about exploring how a small molecule interacts with a target, often a protein.

A small molecule is brought into close contact with a target (either in silico or in the lab), and the goal is to determine:

• Does the small molecule interact and bind with the protein?
• If so, how strong is the interaction?

The strength of the interaction is referred to as the "binding affinity".

What is the Small Molecule Binding Toolset?

We have put together a curated, best-in-class toolset for small molecule binding and predicting binding affinity.

In the Small Molecule Binding Toolset, you can find:

• An introduction to small molecule binding and affinity prediction (What are they? Why should you determine binding affinity? How do you measure it?)
• An overview of the tools we provide for small molecule binding (including docking and scoring)
• A step-by-step example of running the tool and visualizing the results

Here is an overview of the package: