Workflow Guide
How to Use Warhead Hunter
Warhead Hunter helps researchers convert ligand-bound protein structures into atom-level solvent exposure maps. A typical workflow begins with a target name, a structure-search query, and an optional FASTA sequence. The platform retrieves candidate structures, filters ligand-containing complexes, computes ligand atom SASA, and presents the results in synchronized 2D and 3D views.
Input Layer
Structure Retrieval
Exposure Mapping
Outputs Generated
Mapped job artifacts CSV, SVG, PDB, SDF, HTML, bundleWorkflow Timeline
Five-Step Launch Path
01
Choose A Target
Enter a target name such as KRAS, BTK, EGFR, BRD4, or another protein of interest.
02
Define A Structure Search
Use a search phrase that captures the target and ligand-bound structures you want to inspect.
03
Add FASTA When Available
A FASTA sequence can help guide chain selection and filtering when the search term is broad or ambiguous.
04
Launch The Scan
Warhead Hunter prepares structures, computes ligand exposure, and assembles browser-ready result files.
05
Inspect Candidate Atoms
Use the results gallery to compare ligand summary cards, 2D exposure maps, and 3D binding-site views.
Input Layer
Target Input
Define the protein and the retrieval context.
Structure Layer
Structure Retrieval
Collect ligand-bound structural candidates.
Exposure Engine
Ligand SASA
Quantify atom-level solvent exposure in context.
Mapping Layer
Atom Mapping
Bridge 2D and 3D atom identities.
Viewer Layer
2D / 3D Results
Inspect ligand exposure visually and comparatively.
Automation
Downloads / API
Retrieve artifacts for notebooks and downstream tools.
Inputs Needed
◎Target name or program label.
◎Structure-search query for ligand-bound complexes.
◎Optional FASTA sequence for cleaner chain filtering.
Outputs Generated
◎Prepared PDB and ligand SDF files.
◎SASA summary and atom-level exposure tables.
◎SVG atom maps, viewers, manifests, and bundles.
Interpretation note: Warhead Hunter identifies solvent-exposed ligand atoms for inspection. It does not guarantee that a highlighted atom is synthetically accessible, potency-preserving, or optimal for a specific degrader or covalent inhibitor design.
Ready To Run A Structure-Guided Exposure Scan?
Launch the hunter directly, then compare results through the gallery, downloadable bundle, or API layer.