Adapt AbsciBind#7
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Co-authored-by: Michael Jendrusch <michael.jendrusch@embl.de>
…added job for slurm
…ediction (origin1 suppl fig 13)
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Adaptation of AbsciBind ipTM scoring
I have implemented a variation of the ipTM for antibody structures, as described in:
This new protocol was tested by replicating scoring for structures provided by the original paper.
I did not find the adapted ipTM scoring to clearly indicate binding affinity.
You will find the ipTM and ligand-RMSD scoring classes in the structure/metrics directory. Full testing functions, to attempt to reproduce findings from Abscibind (Origin1) are in the tests folder, including bash scripts for running the protocol on slurm. The core abscibind class for antibody structure prediction and scoring is implemented as a new class in the protocols directory.
The computed scores for designs also used in the original paper for benchmarking:
AbsciBind ipTM scores.pdf