Upload your inputs
Provide the receptor PDB and the ligand CSV for the analysis.
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Therapeutics / Binding Pharmacophore
Map the features that drive binding.
Provide a receptor structure and ligand references, then run the pharmacophore pipeline. Review detected hotspots, the binding center and ranked ligand affinities.
Use your existing Wellmatix account. Platform access is subject to approval.
Binding PharmacophoreWorkflow overview
PharmacophoreHotspotsAffinity ranking
01Upload your inputs
02Set the binding center
03Review hotspots & scores
HOW IT WORKS
A focused path through your research.
From your inputs to evidence you can review.
Set the binding center
Optionally specify the center coordinates for hotspot detection.
Review hotspots & scores
Inspect detected pharmacophore hotspots and ranked ligand affinities.
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 references (CSV)
- Optional binding center (X, Y, Z)
WHAT YOU CAN EXPLORE
Outputs for your next decision.
- Detected pharmacophore hotspots and binding center
- Ligand affinity ranking (pKd/pKi)
- 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 Pharmacophore.
Sign in, request access if needed, and continue in your workspace.