J. Oller-Iscar

PepSpace designs specific peptides using physics-driven directed evolution, achieving stronger predicted interactions and better binding specificity than machine learning models.

RNA2PS predicts RNA structure and phase separation behavior from sequence, showing sequence-dependent duplex stability and condensation differences in trinucleotide repeat RNAs.

This study benchmarks computational methods to predict PARP1 vs PARP2 inhibitor selectivity, finding FEP and PMF outperform MM/PBSA in accuracy.