Publications

More filters

Results: 4

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

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, [], 1-18
DOI: 10.1080/07391102.2025.2458328
OpenAccess: Link
Keywords: Biomolecules and biomaterials, Computational chemistry, Molecular Dynamics interactions

Špela Mandl, Bruno Di Geronimo, Santiago Alonso-Gil, Christoph Grininger, Gibu George, Ulrika Ferstl, SereinaAnnik Herzog, Bojan Žagrović, Christoph Nusshold, Tea Pavkov-Keller, Pedro A. Sánchez-Murcia
A new view of missense mutations inα ‐mannosidosis using molecular dynamics conformational ensembles
Protein Science, 2025, 34, e70080
DOI: 10.1002/pro.70080
OpenAccess: Link
Keywords: Biocatalysis, Biomolecules and biomaterials, Enzyme design, Molecular Dynamics interactions

Muhammad Ehtisham, Muhammad Saeed-Ul-Hassan, Albert Poater
A comprehensive review of approaches, systems, and materials used in adsorption-based atmospheric water harvesting
Science of The Total Environment, 2025, 958, 177885-
DOI: 10.1016/j.scitotenv.2024.177885
OpenAccess: Link
Keywords: Biomolecules and biomaterials, Nanomaterials, Sustainable Catalysis, Translational research