NK-RCPP: a receptor-conditioned computational workflow for prioritizing neurokinin-receptor peptide candidates
Prioritizing peptides for closely related G protein-coupled receptors requires comparing target-directed scores with evidence from other structural contexts. We applied the Neurokinin Receptor-Conditioned Peptide Prioritization workflow (NK-RCPP) to 96 generated candidates for neurokinin receptors NK1R, NK2R and NK3R. The retrospective analysis combined receptor-matched on-target REF15 scores…
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