PP-MAPS: dynamic pharmacophore signatures of protein-peptide interfaces from molecular dynamics trajectories
Camille Depenveiller, Arezki Guerda, Emilia Rabia, Aziza Caidi, Yaqoub Ashhab, Fathia Mami‐Chouaib, Matthieu Montès
PP-MAPS extracts dynamic pharmacophore signatures from MD trajectories of protein-peptide complexes to analyze interactions and compare peptides and binding sites.
Journal of Chemical Information and Modeling · Jun 26, 2026Peer-reviewedBioinformatics