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Results: 16

TusharKanti Das, Marcin Jesionek, MuhammadDanish Ali, Sayan Ganguly, Albert Poater
Advancing sustainability: circular economy strategies for fibrous polymer composites
Cleaner Materials, 2026, 19, 100381-
DOI: 10.1016/j.clema.2026.100381
OpenAccess: Link
Keywords: Biomolecules and biomaterials, Nanomaterials, Predictive Chemistry, Sustainable Catalysis

Salvatore Crisafulli, Francesco Ciccimarra, Fabio Scapini, Luca L’Abbate, EmmanueleA. Jannini, MariaCristina De Martino, Elisa Giannetta, Jordi Mestres, Marco Tuccori, Gianluca Trifirò
Sexual Dysfunctions Associated with Proton Pump Inhibitors: Insights from VigiBase, the World Health Organization Pharmacovigilance Database
Drug Saf, 2026, 49, 435-447
DOI: 10.1007/s40264-025-01626-6
OpenAccess: Link
Keywords: Biomolecules and biomaterials, Drug safety, Pharmacovigilance, Safety signal detection, Translational research

Germano Giuliani, Minyong Li, Xingye Yang, Marco Paolino, Federica Castriconi, Andrea Cappelli, Lluís Blancafort
Tuning sulfur-induced red shift of coelenteramide fluorescence: linking experiment and theory
Journal of Photochemistry and Photobiology A: Chemistry, 2026, 477, 117121-
DOI: 10.1016/j.jphotochem.2026.117121
OpenAccess: –
Keywords: Biomolecules and biomaterials, Computational chemistry, Excited states, Spectroscopy

Emely Jockmann, Helena Girame, Wieland Steinchen, Kalle Kind, Gert Bange, Kai Tittmann, Michael Müller, Ferran Feixas, Marc Garcia-Borràs, Jennifer N. Andexer
How to Tell an N from an O: Controlling the Chemoselectivity of Methyltransferases
ACS Catal., 2025, 15, 6410-6425
DOI: 10.1021/acscatal.5c00834
OpenAccess: –
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Molecular Dynamics interactions, Biomolecules and biomaterials

Santiago Ruiz-Martínez, Xavi Ribas, Miquel Costas, Göran Landberg, Teresa Puig
Characterization and targeting of chemoresistant triple-negative breast cancer subtypes using amino-pyridine compounds
Biochimica et Biophysica Acta (BBA) – Molecular Basis of Disease, 2025, 1871, 167899-
DOI: 10.1016/j.bbadis.2025.167899
OpenAccess: Link
Keywords: Biomolecules and biomaterials, Ligand design

Noah Al-Shamery, Dauren Biyashev, Lluís Blancafort, Anthony Camus, NathanC. Gianneschi, CarlosFederico De Olivera Graeff, Bern Kohler, Shujie Li, KurtQ. Lu, Jean-Philip Lumb, Paola Manini, Maria McNamara, Paul Meredith, A. Bernardus Mostert, Toby L. Nelson, Busra Ozlu, Valentina Rossi, Farhana Shanta, Matthew Shawkey, BongSup Shim, Andrew J. Surman, Wanjie Xie, Clara Santato, Micaela Matta
From melanogenesis to melanin technologies
Commun Chem, 2025, 8, 323
DOI: 10.1038/s42004-025-01731-8
OpenAccess: –
Keywords: Biomolecules and biomaterials, Computational chemistry, Predictive Chemistry

Serena E. Hunt, Cindy Klaus, Aqza E. John, Niayesh Zarifi, Alec Martinez, Ferran Feixas, Marc Garcia-Borràs, Michael C. Thompson, Roberto A. Chica
Distal Mutations in a Designed Retro-Aldolase Alter Loop Dynamics to Shift and Accelerate the Rate-Limiting Step
J. Am. Chem. Soc., 2025, 147, 30723-30736
DOI: 10.1021/jacs.5c05134
OpenAccess: Link
Keywords: Biocatalysis, Biomolecules and biomaterials, Enzyme design, Molecular Dynamics interactions

Gerard Riesco-Llach, Àngel Oliveras, Sergio Gil-Caballero, Esther Badosa, Anna Bonaterra, Emilio Montesinos, Ferran Feixas, Marta Planas, Lidia Feliu
Structure-activity relationship of peptide conjugates derived from BP100 and insights into their interactions with lipid membranes by NMR and MD simulations
Journal of Biomolecular Structure and Dynamics, 2025, 43, 10220-10237
DOI: 10.1080/07391102.2025.2458328
OpenAccess: Link
Keywords: Biomolecules and biomaterials, Computational chemistry, Molecular Dynamics interactions

Ziaurrehman Tanoli, Adrià Fernández-Torras, UmutOnur Özcan, Aleksandr Kushnir, KristenMichelle Nader, Yojana Gadiya, Laura Fiorenza, Aleksandr Ianevski, Markus Vähä-Koskela, Mitro Miihkinen, Umair Seemab, Henri Leinonen, Brinton Seashore-Ludlow, Marianna Tampere, Adelinn Kalman, Flavio Ballante, Emilio Benfenati, Gary Saunders, Swapnil Potdar, Ismael Gómez García, Ricard García-Serna, Carmine Talarico, AndreaRosario Beccari, Wesley Schaal, Andrea Polo, Susan Costantini, Enrico Cabri, Marc Jacobs, Jani Saarela, Alfredo Budillon, Ola Spjuth, Päivi Östling, Henri Xhaard, Jordi Quintana, Jordi Mestres, Philip Gribbon, AntonE. Ussi, DonaldC. Lo, Martin de Kort, Krister Wennerberg, Maddalena Fratelli, Jordi Carreras-Puigvert, Tero Aittokallio
Computational drug repurposing: approaches, evaluation of in silico resources and case studies
Nat Rev Drug Discov, 2025, 24, 521-542
DOI: 10.1038/s41573-025-01164-x
OpenAccess: Link
Keywords: Biomolecules and biomaterials, Chemoinformatics, Drug repurposing, Drug safety, Translational research

Celine Nieuwland, MichielJ. van Well, Laia Guillaumes, Anna de Vey Mestdagh, Lianne Dekker, Cynthia Nieuweboer, Sílvia Simon, Célia Fonseca Guerra
DNA base pairs: the effect of the aromatic ring on the strength of the Watson–Crick hydrogen bonding
Org. Biomol. Chem., 2025, 23, 9972-9979
DOI: 10.1039/D5OB00819K
OpenAccess: Link
Keywords: Biomolecules and biomaterials, Chemical bonding, Computational chemistry, Non-covalent interactions