Publications
2026 publications list
Charge Directed Selective Co-Assembly of Ionic Complementary Peptide Binary Mixtures.
Abdulwahhab Khedr, Mohamed A. N. Soliman, Alfred Corrigan, Tarsem Sahota, Rachel Armitage, Natalie Allcock, Jeyapriya T. Jegadeesan, Mahetab H. Amer, Reem Alazragi, Zeeshan Ahmad, Jacek K. Wychowaniec, Mohamed A. Elsawy Small, 22, e13140 (2026). https://doi.org/10.1002/smll.202513140Secondary Structure Bead-Encoded Amphiphilicity Biases Peptide Self-Assembly Prediction in MARTINI Coarse-Grained Simulations
Marko Babić, Goran Mauša, Ivan R. Sasselli*, Daniela Kalafatovic*, ACS Appl. Mater. Interfaces, 18, 12353–12367 (2026). https://pubs.acs.org/doi/full/10.1021/acsami.5c14754- Mechanically Enhanced Ultrashort Peptide Hydrogels for pH-Triggered Release.
Pasqualina Liana Scognamiglio, Carlo Diaferia, Mariantonietta Pizzella, Antonella Accardo, Giancarlo Morelli, Diego Tesauro, ACS Polym. Au, 6, 906–917 (2026). https://doi.org/10.1021/acspolymersau.6c00020 - Current Computational Approaches for the Discovery of Novel Anticancer Agents Targeting VEGFR and SIRT Signaling Pathways.
Aleksandra Ilic, Selma Zukic, Slavica Oljacic, Uko Maran, Katarina Nikolic, Marija Popovic-Nikolic, Pharmaceutics, 18, 273 (2026). https://doi.org/10.3390/pharmaceutics18020273 - Multifaceted biological and computational assessment of aromatic and N-heteroaromatic non-substituted thiosemicarbazones.
Natalia Macijewska, Predrag Ristić, Anoop Kallingal, Mihaela Gulea, Morgan Donnard, Nicolas Girard, An Matheeussen, Natacha Van Pelt, Guy Caljon, Vladimir Dobričić, Jelena Bošković, Marija Popovic-Nikolic, Katarina Nikolic, Mire Zloh, Vladimir Blagojević, Tamara Todorović, Nenad Filipović, Sci. Rep., 16, 14911 (2026). https://doi.org/10.1038/s41598-026-44568-4 - The design of multi-target ligands and their role in schizophrenia therapy: an update.
Zarko Gagic, Marija Popovic-Nikolic, Marija Carapic, Selma Zukic, Slavica Oljacic, Katarina Nikolic, Exp. Opin. Drug Discov. 21, 593-608 (2026). https://doi.org/10.1080/17460441.2026.2669617 - Hydrogels and nanogels based on 2Nap-capped cationic tripeptides: influence of lysine position and siRNA delivery properties.
Mariangela Rosa, Fin Hallam Stewart, Carlo Diaferia, Tomás S. Plivelic, Mariano Stornaiuolo, Dave J. Adams, Antonella Accardo, Biomater. Sci. (2026); https://doi.org/10.1039/d6bm00791k - DNA Nanotechnology Meets Peptide and Protein Self-Assembly.
Marcel Hanke, Nanjundan Raghul, Adrian Keller, Veikko Linko, Verónica I. Dodero, Chem. Eur. J., e71726 (2026). https://doi.org/10.1002/chem.71726
2025 publications list
- Unravelling cyclic peptide membrane permeability prediction: a study on data augmentation, architecture choices, and representation schemes
Alfonso Cabezón, Erik Otović, Daniela Kalafatovic, Ángel Piñeiro, Rebeca García-Fandiño and Goran Mauša, Digital Discovery, 4, 1259-1275 (2025). https://doi.org/10.1039/D4DD00375F - Understanding Biases in Liquid–Liquid Phase Separation: Investigating Amino Acid Enrichments in Phase-Separating Proteins toward Peptide Design
Joana Calvário, Diogo Antunes, Rita Cipriano, Daniela Kalafatovic, Goran Mauša, and Ana S. Pina, Biomacromolecules, 26 (11), 7247-7264 (2025). https://pubs.acs.org/doi/full/10.1021/acs.biomac - Racemic peptide assembly boosts biocatalysis.
Mari C. Mañas-Torres, Paola Alletto, Simone Adorinni, Attilio V. Vargiu, Luis Álvarez de Cienfuegos and Silvia Marchesan (2025). Org. Biomol. Chem., 2025,23, 2797-2801. https://doi.org/10.1039/D4OB01987C - In Vitro and In Vivo Characterization of Novel Cathelicidin-Based Peptides with Antimicrobial Activity Against Pseudomonas aeruginosa
Moreno-Morales, J., Martín-Vilardell, N., Guardiola, S., Vila-Farrés, X., Cebrero, T., Babić, M., Ballesté-Delpierre, C., Kalafatović, D., Giralt, E., Pachón-Ibañez, M. E., & Vila, J. (2025). Antibiotics, 14(8), 838. https://doi.org/10.3390/antibiotics14080838 - María G. Herrera, Lidia Ciccone, Lara H. Moleiro, Nicolo Tonali, and Verónica Isabel DoderoACS Nano 2025 19 (34), 30688-30719
- Co-assembled supramolecular hydrogels: nano-IR sheds light on tripeptide assemblies.
Paola Alletto, Ana M. Garcia, Federica Piccirilli, Silvia Marchesan, Faraday Discuss., 260, 389-402 (2025). https://doi.org/10.1039/d4fd00193a - Effect of Tyrosine-Containing Self-Assembling β‑Sheet Peptides on Macrophage Polarization and Inflammatory Response.
Jacek K. Wychowaniec, Ezgi Irem Bektas, Marcia Muerner, Jiranuwat Sapudom, Martin Šrejber, Marielle Airoldi, Roland Schmidt, Andrea J. Vernengo, Charlotte J. C. Edwards-Gayle, Paul Sean Tipay, Michal Otyepka, Jeremy Teo, David Eglin, Matteo D’Este, ACS Appl. Mater. Interfaces, 17, 27740–27758 (2025). https://doi.org/10.1021/acsami.4c19900 - MA(R/S)TINI 3: An Enhanced Coarse-Grained Force Field for Accurate Modeling of Cyclic Peptide Self-Assembly and Membrane Interactions.
Alfonso Cabezón, Rebeca Garcia-Fandino, Ángel Piñeiro. J. Chem. Theory Comput., 21, 5724–5735 (2025). https://doi.org/10.1021/acs.jctc.5c00126
Please, remember to acknowledge COST Action in all your collaborative publications within the network including the acknowledgment statement “This work has been carried out within the framework of the COST Action CA2311- SNOOPY ‘Searching for Nanostructured or pOre fOrming Peptides for therapY’, supported by COST (European Cooperation in Science and Technology).” We will spread your research articles within our COST network, social media and website: Let us know the DOI of all your publications with COST Acknowledgement here.
Special Issues
- Special issue in Journal of Peptide Science focused on computational methods for assessment of peptides and peptide nanostructures, which will accept rapid communications up to 4 pages and has a September deadline.
- RSC Materials Advances special issue on supramolecular peptide and protein systems, which now accepts submissions until September and includes various article types beyond rapid communications.
New Journal
Non-journal Publications
2026
- Identifying high-risk patients after neoadjuvant chemoradiotherapy for rectal cancer: A DFI multivariate prognostic model, ESTRO 2026 Abstract Book p. S743-744. https://online.flippingbook.com/view/701322381/752/
2025 conference-proceedings papers acknowledging CA23111
- Computer-Aided Drug Design of novel dual histone deacetylase inhibitors, 10.46793/ICCBIKG25.587I.
- Theoretical insight into redox properties of 9-Acridinyl amino acid derivatives, 10.46793/ICCBIKG25.591I.
- Consideration of electrophoretic behavior of some imidazoline and α-adrenergic receptor ligands using DFT approach, 10.46793/ICCBIKG25.612C.