Upload your inputs
Provide the receptor PDB and the ligand CSV you want to screen.
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Therapeutics / Binding Affinity
Prioritize the molecules most likely to bind.
Upload a protein receptor and a ligand library, then rank candidates by predicted binding affinity. Review the affinity model outputs and prepare the shortlist for experimental validation.
Use your existing Wellmatix account. Platform access is subject to approval.
Binding AffinityWorkflow overview
Small moleculesDockingAffinity ranking
01Upload your inputs
02Run the screening
03Review the ranking
HOW IT WORKS
A focused path through your research.
From your inputs to evidence you can review.
Run the screening
Submit the job and follow its status in the run history.
Review the ranking
Inspect the predicted affinity ranking and downloadable results.
BEFORE YOU BEGIN
Bring your research context.
Prepare the information relevant to your workflow. The platform guides you through the required fields.
- Receptor structure (PDB)
- Ligand library (CSV with ID and SMILES)
- Number of top candidates to return
WHAT YOU CAN EXPLORE
Outputs for your next decision.
- Predicted binding affinity ranking
- Docking and selection summaries
- Downloadable result artifacts
Available outputs depend on the selected workflow and completed stages. Computational findings support expert review and experimental validation.
YOUR NEXT RESEARCH QUESTION
Explore Binding Affinity.
Sign in, request access if needed, and continue in your workspace.