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About this paper
Jian Lee, Changyun Cho, Sun Kim
PIFT is a computational method that guides small-molecule design for protein–protein interfaces by transferring a peptide’s target-facing contact pattern, rather than its atomic scaffold. It uses a shared, target-aware representation to steer building-block choices and three-dimensional pose. Across ten targets, PIFT achieves aggregate IFA of 1.993, versus 1.420 for MolCRAFT; this computational evaluation does not establish experimental binding or inhibition.
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