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Ligand Binding
Structure Prediction
FunFOLD5
Template-based ligand binding site prediction using structural alignment and quality assessment.
FunFOLD5 predicts ligand-binding residues by structurally superposing the target against ligand-bound templates and transferring binding-site information — ranked 2nd for ligand prediction at CASP16, surpassing the AlphaFold3 server.
2nd
> AF3
Template
$ docker pull radiyaman/funfold5_template$ docker run -v $(pwd):/data radiyaman/funfold5_template \
-i /data/target.pdb -o /data/resultsStructural alignment
Superpose the target structure against a library of ligand-bound templates.
Binding-site transfer
Map contacting residues from aligned templates onto the target sequence.
Confidence scoring
Cluster and rank predicted sites by template agreement and reliability.
> key_publications