INM-9

⇦ Computational Biomedicine   ⇧ INM ⇧

Recent Publications

All known publications ...
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http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Weber, V.FZJ* ; Salvadori, G. (Corresponding author)FZJ* ; Natale, F.FZJ* ; Gerwe, H. ; Decker, M.FZJ* ; Carloni, P. (Corresponding author)FZJ* ; Rossetti, G. (Corresponding author)FZJ*
Binding pose depth modulates photoswitchable ligands’ efficacy at the 5-HT2A receptor
Communications chemistry 9(1), 121 (2026) [10.1038/s42004-026-01936-5]2026   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Fontanive, F. (Corresponding author) ; Giorgetti, A. (Corresponding author)FZJ*
In silico insights into the activation mechanism of the P2Y12 receptor: Identification of a novel histidine-mediated microswitch
International journal of biological macromolecules 336, 149315 - (2026) [10.1016/j.ijbiomac.2025.149315]2026   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Knapp, S. ; Weber, V.FZJ* ; Verheirstraeten, M. ; Sabcheva, A. ; Wright, T. ; Herkens, L. ; Hauser, L. ; Hirschen, L. ; Golzmann, A. ; Lippok, B. ; Krieg, S. ; Ferraris, D. ; Knapp, S. ; Ladurner, A. G. ; Rossetti, G.FZJ* ; Lüscher, B. ; Korn, P. (Corresponding author)
Screening assay to monitor mono-ADP-ribosylhydrolase activity of viral macrodomains in cells
Communications biology 9(1), 386 (2026) [10.1038/s42003-026-09832-3]2026   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Ojha, A. ; Kloss, L. ; Montenegro, J. D. ; Albani, S.FZJ* ; Ortega-Ramírez, A. ; Raycheva, M. ; Joussen, S. ; Kaul, S. ; Bachmann, M. ; Huf, L. ; Schmalzing, G. ; Cole, A. G. ; Technau, U. ; Gründer, S. (Corresponding author)
Functional Analysis of Ligand‐Gated Chloride Channels in a Cnidarian Sheds Light on the Evolution of Inhibitory Signaling
Advanced science 13(41), e15481 (2026) [10.1002/advs.202515481]2026   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Nguyen, H. T.FZJ* ; Spehr, M. ; Bondar, A.-N. (Corresponding author)FZJ* ; Carloni, P. (Corresponding author)FZJ*
pH-dependent structural dynamics of neuropeptide Y in aqueous solution
PLOS ONE 21(3), e0343614 - (2026) [10.1371/journal.pone.0343614]2026   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Preto, J. (Corresponding author)FZJ* ; Calandrini, V.FZJ* ; Floriani, E. ; Katona, G. ; Pettini, M.
Hamiltonian model for energy condensation in classical Systems: Relevance to proteins
Physical review research 8, L022016 (2026) [10.1103/7y7r-hf97]2026   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Musiani, F. (Corresponding author) ; Al Sadi, S. ; Giorgetti, A.FZJ* ; Alfonso-Prieto, M.FZJ* ; Carloni, P. (Corresponding author)FZJ*
Structural and functional role of the magnesium ion in the human oxytocin receptor
Journal of inorganic biochemistry 280, 113309 - (2026) [10.1016/j.jinorgbio.2026.113309]2026   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Contribution to a book Devodier, M.FZJ* ; Gholami, S. ; Dmitrieva, N.FZJ* ; Alfonso-Prieto, M.FZJ* ; Fahlke, C.FZJ* ; Carloni, P. (Corresponding author)FZJ*
Quantum mechanics/molecular mechanics simulations of proton transfer processes in vesicular glutamate and D-galactonate transporters
2026Handbook of Electronic Structure Theory / Devodier, Marta ; : Elsevier, 2026, ; ISBN: 9780443265969 ; doi:10.1016/B978-0-443-26596-9.00010-7 Amsterdam, London, Cambridge : Elsevier 703-716 (2026) [10.1016/B978-0-443-26596-9.00010-7]2026 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Plate, C. ; Dmitrieva, N.FZJ* ; Gholami, S. ; Alfonso-Prieto, M.FZJ* ; Deshmukh, S. A. ; Mandelli, D. (Corresponding author)FZJ* ; Carloni, P. (Corresponding author)FZJ* ; Fahlke, C.FZJ*
Protonation-dependent substrate release in a bacterial homolog of vesicular glutamate
Biophysical journal 125(7), 1565-1569 (2026) [10.1016/j.bpj.2026.02.027]2026   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Bondar, A.-N. (Corresponding author)FZJ* ; Lešnik, S. ; Hristova, K. ; Wimley, W. C. (Corresponding author)
pH-Responsive peptide nanopores are stabilized by lipid and water-mediated hydrogen bonding networks
Nanoscale 18(7), 3598 - 3612 (2026) [10.1039/D5NR03276H]2026   Files BibTeX | EndNote: XML, Text | RIS

All known publications ...
Download: BibTeX | EndNote XML,  Text | RIS |