01 Drug discovery
From a target
to a testable shortlist.
Bring the biology and the computation into the same conversation. Choose the next experiment with its evidence in view.
Discuss a discovery programDocking requires a configured environment. Predictions need experimental validation.
The scientific context
What do we know about the target?
Target biology and published findings, connected to the original sources.
The computational question
Which candidates warrant a closer look?
Prepared structures, candidate molecules, and an inspectable docking protocol.
The next decision
A shortlist you can question.
Review predicted poses and their assumptions. Identify what still needs experimental testing.
Bring supplied ADME evidence into the review. Integrated ADME prediction is not yet available.