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http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Book Münster, G. (Editor) ; Wolf, D. (Editor) ; Kremer, M. (Editor)FZJ*
NIC Symposium 2010 – Proceedings 24 - 25 February 2010 | Jülich, Germany
NIC Series 44 V, 395 S.   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Book/Proceedings Peter, C. (Editor) ; Müller, M. (Editor) ; Trautmann, A. (Editor)FZJ*
NIC Symposium 2025 Proceedings
2025NIC Symposium, JülichJülich, Germany, 6 Mar 2025 - 7 Mar 20252025-03-062025-03-07 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 52, v, 423 (2025) [10.34734/FZJ-2025-01965]2025   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Schmitz, B. ; Frieg, B.FZJ* ; Homeyer, N. ; Jessen, G. ; Gohlke, H. (Corresponding author)FZJ*
Extracting binding energies and binding modes from biomolecular simulations of fragment binding to endothiapepsin
Archiv der Pharmazie 357(5), e2300612 (2024) [10.1002/ardp.202300612]2024   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Zhang, H. ; Dierkes, R. F. ; Perez-Garcia, P. ; Costanzi, E. ; Dittrich, J. ; Cea, P. A. ; Gurschke, M. ; Applegate, V. ; Partus, K. ; Schmeisser, C. ; Pfleger, C. ; Gohlke, H.FZJ* ; Smits, S. H. J. ; Chow, J. ; Streit, W. R. (Corresponding author)
The metagenome‐derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate ( PET )
The FEBS journal 291(1), 70-91 (2024) [10.1111/febs.16924]2024   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article La Sala, G. (Corresponding author) ; Pfleger, C. ; Käck, H. ; Wissler, L. ; Nevin, P. ; Böhm, K. ; Janet, J. P. ; Schimpl, M. ; Stubbs, C. J. ; De Vivo, M. ; Tyrchan, C. ; Hogner, A. ; Gohlke, H. (Corresponding author)FZJ* ; Frolov, A. I. (Corresponding author)
Combining structural and coevolution information to unveil allosteric sites
Chemical science 14(25), 7057-7067 (2023) [10.1039/D2SC06272K]2023   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Herold, J. ; Behle, E.FZJ* ; Rosenbauer, J.FZJ* ; Ferruzzi, J. ; Schug, A. (Corresponding author)FZJ*
Development of a scoring function for comparing simulated and experimental tumor spheroids
PLoS Computational Biology 19(3), e1010471 - (2023) [10.1371/journal.pcbi.1010471]2023   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Dittrich, J. ; Popara, M. ; Kubiak, J. ; Dimura, M. ; Schepers, B. ; Verma, N. ; Schmitz, B. ; Dollinger, P. ; Kovacic, F.FZJ* ; Jaeger, K.-E. (Corresponding author)FZJ* ; Seidel, C. A. M. (Corresponding author) ; Peulen, T.-O. (Corresponding author) ; Gohlke, H. (Corresponding author)FZJ*
Resolution of Maximum Entropy Method-Derived Posterior Conformational Ensembles of a Flexible System Probed by FRET and Molecular Dynamics Simulations
Journal of chemical theory and computation 19(8), 2389 - 2409 (2023) [10.1021/acs.jctc.2c01090]2023   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article van der Weg, K. J.FZJ* ; Gohlke, H. (Corresponding author)FZJ*
TopEnzyme: a framework and database for structural coverage of the functional enzyme space
Bioinformatics 39(3), btad116 (2023) [10.1093/bioinformatics/btad116]2023   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Marasco, R. ; Fusi, M. ; Coscolín, C. ; Barozzi, A. ; Almendral, D. ; Bargiela, R. ; Nutschel, C. G. n.FZJ* ; Pfleger, C. ; Dittrich, J. ; Gohlke, H.FZJ* ; Matesanz, R. ; Sanchez-Carrillo, S. ; Mapelli, F. ; Chernikova, T. N. ; Golyshin, P. N. ; Ferrer, M. (Corresponding author) ; Daffonchio, D. (Corresponding author)
Enzyme adaptation to habitat thermal legacy shapes the thermal plasticity of marine microbiomes
Nature Communications 14(1), 1045 (2023) [10.1038/s41467-023-36610-0]2023   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Dittrich, J. ; Kolodzy, F. ; Töpel, A. ; Hofmann, A. ; Groth, G. ; Pich, A. (Corresponding author) ; Gohlke, H. (Corresponding author)FZJ*
Loading and Co-Solvent-Triggered Release of Okanin, a C4 Plant Key Enzyme Inhibitor, into/from Functional Microgels
The chemical engineering journal 460, 141631 (2023) [10.1016/j.cej.2023.141631]2023   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

All known publications ...
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