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, which includes:
- An introduction to small molecule binding and affinity prediction
- An overview of the tools we provide (including docking and scoring)
- A walkthrough example of running the tool and visualizing the results
- A step-by-step guide to running the tools with your own data
Here is an overview of the package: