Candidate molecules
| No. | Name | Type | Length | Sequence |
|---|
- 1Predict3D structure of each candidate on the target
- 2ScoreContacts and buried area at the interface
- 3RankHighest interface score first
- 4MeasureTop candidates confirmed in the lab
Loading run
Step 1 of 4
Candidates and target
Step 2 of 4
Predicted structure
Each candidate as the structure model predicts it binds the target. Drag to rotate, scroll to zoom.
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Step 3 of 4
Ranking
All candidates sorted by interface score, highest first.
| Rank | Candidate | Interface score 0 to 100 | Model confidence | Contacts | Buried area Ų | Models passed | Status |
|---|
Interface score combines heavy atom contacts and buried interface area of each candidate's top ranked model, scaled 0 to 100. It ranks the predicted interface and is not a measured affinity. Models with physically impossible geometry are removed before ranking.
Step 4 of 4
Shortlist
The top candidates move from prediction to laboratory measurement for confirmation.
Predicted
Ranked
Shortlisted
Measured confirmationLaboratory