Roy Aerts unpaid staff

Publications Roy Aerts

C2PO : an ML-powered optimizer of the membrane permeability of cyclic peptides through chemical modification

Source
Journal of Cheminformatics - ISSN 1758-2946-17:1 (2025) p. 1-13
Author(s)

MolAgent : biomolecular property estimation in the agentic era

Source
Journal of Chemical Information and Modeling - ISSN 1549-9596-65:20 (2025) p. 10808-10818
Author(s)
    Jose Carlos Gómez-Tamayo, Joris Tavernier, Roy Aerts, Natalia Dyubankova, Dries Van Rompaey, Sairam Menon, Marvin Steijaert, Jörg Kurt Wegner, Hugo Ceulemans, Gary Tresadern, Hans De Winter, Mazen Ahmad

A comparative study between phenylglycine and phenylalanine derived peptide hydrogels : towards atomic elucidation

Source
Materials Today Chemistry - ISSN 2468-5194-44 (2025) p. 1-12
Author(s)
    Jolien Bertouille, Ruben Van Lommel, Roy Aerts, Luka Dockx, Jessica Mangialetto, Niko van den Brande, Ronnie G. Willaert, Frank De Proft, Ulrich Hennecke, Charlotte Martin, Wouter Herrebout, Thomas L.C. Jansen, Ana Cunha, Steven Ballet

Synthesis and chiroptical properties of inherently chiral ‘picket-fence’ catechol BOPHYs

Source
Dyes and pigments - ISSN 0143-7208-218 (2023) p. 1-8
Author(s)
    Abdulrahman A. Alsimaree, Omar M. Alatawi, Felicity J. Frank, Paul G. Waddell, Roy Aerts, Wouter Herrebout, Julian G. Knight

Interaction of nitrite with ferric protoglobin from Methanosarcina acetivorans : an interesting model for spectroscopic studies of the haem-ligand interaction

Source
Dalton Transactions : an international journal of inorganic chemistry - ISSN 1477-9226-52:10 (2023) p. 2976-2987
Author(s)