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Frontiers in Immunology|May 27, 2022
PANDORA: A Fast, Anchor-Restrained Modelling Protocol for Peptide: MHC ComplexesDario F Marzella, Farzaneh M Parizi, Derek van Tilborg, et al.
Science Advances|June 12, 2021
Combining generative artificial intelligence and on-chip synthesis for de novo drug designFrancesca Grisoni, Berend J H Huisman, Alexander L Button, et al.
Nanoscale|October 30, 2024
nanoFeatures: a cross-platform application to characterize nanoparticles from super-resolution microscopy imagesCristina Izquierdo-Lozano, Niels van Noort, Stijn van Veen, et al.
ACS Nano|January 21, 2026
"Visualize, Describe, Compare"─Nanoinformatics Approaches for Material-OmicsCristina Izquierdo-Lozano, Marrit M E Tholen, Valentina Girola, et al.
Molecular Informatics|September 22, 2016
Matrix-based Molecular Descriptors for Prospective Virtual Compound ScreeningFrancesca Grisoni, Daniel Reker, Petra Schneider, et al.
Nature Communications|January 7, 2023
Leveraging molecular structure and bioactivity with chemical language models for de novo drug designMichael Moret, Irene Pachon Angona, Leandro Cotos, et al.
Communications Chemistry|January 29, 2025
fragSMILES as a chemical string notation for advanced fragment and chirality representationFabrizio Mastrolorito, Fulvio Ciriaco, Maria Vittoria Togo, et al.
Alzheimer'S & Dementia (New York, N. Y.)|March 26, 2024
Baricitinib and tofacitinib off-target profile, with a focus on Alzheimer's diseaseMaria L Faquetti, Laura Slappendel, Hélène Bigonne, et al.
Food Chemistry|November 2, 2018
Chemical profiling and multivariate data fusion methods for the identification of the botanical origin of honeyDavide Ballabio, Elisa Robotti, Francesca Grisoni, et al.
Food Chemistry|February 5, 2020
Geographical identification of Chianti red wine based on ICP-MS element compositionBenedetta Bronzi, Claudio Brilli, Gian Maria Beone, et al.
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