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Journal of Cheminformatics|November 11, 2025
C2PO: an ML-powered optimizer of the membrane permeability of cyclic peptides through chemical modificationRoy Aerts, Joris Tavernier, Alan Kerstjens, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 28, 2020
Synthesis, Structure and Photophysical Properties of a New Class of Inherently Chiral Boron(III) Chelates-The tert-Leucine ComplexesNawaf Algoazy, Julian G Knight, Paul G Waddell, et al.Journal of Chemical Information and Modeling|October 16, 2025
MolAgent: Biomolecular Property Estimation in the Agentic EraJose Carlos Gómez-Tamayo, Joris Tavernier, Roy Aerts, et al.Journal of Inorganic Biochemistry|November 12, 2022
GLB-3: A resilient, cysteine-rich, membrane-tethered globin expressed in the reproductive and nervous system of Caenorhabditis elegansZainab Hafideddine, Tim Loier, Niels Van Brempt, et al.Pageof 2