HMI Group
Isabell Louise Grothaus
Impressum
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Vita |
Publications |
Papers
| 6. | Y.-X. Tsai, N.-E. Chang, K. Reuter, H.-T. Chang, T.-J. Yang, S. von Bülow, N. Zerrouki, M. Gecht, C. Penet, I.L. Grothaus, L. Colombi Ciacchi. K.-H. Khoo, G. Hummer, S.-T.D. Hsu; C. Hanus, M. Sikora
Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries Cell 187, 1296-1311 (2024) Full text ; Press release |
| 5. | C. Arend*, I.L. Grothaus*, M. Waespy, L. Colombi Ciacchi, R. Dringen
Modulation of multidrug resistance protein 1-mediated transport processes by the antiviral drug ritonavir in cultured primary astrocytes Neurochemical Research 49, 66-84 (2024) Full text *Shared first authorship |
| 4. | I.L. Grothaus, G. Bussi, L. Colombi Ciacchi
Exploration, representation and rationalization of the conformational phase-space of N-glycans Journal of Chemical Information and Modeling 62, 4992-5008 (2022) (Supplementary Cover) Full text ; bioRxiv |
| 3. | S.M. Ayala Mariscal, M.L.Pigazzini, Y. Richter, M. Özel, I.L. Grothaus, J. Protze, K. Ziege, M. Kulke, M. ElBediwi, J. Vermaas, L. Colombi Ciacchi, S. Köppen, F. Liu, J. Kirstein
Identification of a HTT-specific binding motif in DNAJB1 essential for suppression and disaggregation of HTT Nature Communications 13, 4692 (2022) Full text ; Blog post |
| 2. | J. Rosenau*, I.L. Grothaus*, Y. Yang, L. Colombi Ciacchi, S. Kelm, M. Waespy
N-glycosylation modulates enzymatic activity of Trypanosoma congolense trans-sialidase Journal of Biological Chemistry 298, 102403 (2022) Full text ; bioRxiv *Shared first authorship |
| 1. | N.A. Henke, S. Austermeier, I.L. Grothaus, S. Götker, M. Persicke, P. Peters-Wendisch, V.F. Wendisch
Corynebacterium glutamicum CrtR and its orthologs in actinobacteria: Conserved function and application as genetically encoded biosensor for detection of geranylgeranyl pyrophosphate International Journal of Molecular Sciences 21, 5482 (2020) Full text |
Talks and posters
| 9. | I.L. Grothaus
The third dimension of the sugar code unter the computational microscope (Invited Talk) Małopolska Centre of Biotechnology, Jagiellonian University Krakow (Poland), February 2024 |
| 8. | I.L. Grothaus, Martin Kulke, Josh V. Vermaas, Janine Kirstein, Lucio Colombi Ciacchi, Susan Köppen
Unraveling disease mechanisms using molecular modeling of bio-interfaces (Poster) Annual meeting of the American Biophysical Society, San Diego (USA), February 2023 |
| 7. | I.L. Grothaus, Giovanni Bussi, Lucio Colombi Ciacchi
Exploration, representation and rationalization of the conformational phase-space of N-glycans (Talk) CECAM - 20 years of Metadynamics, Lausanne (Switzerland), September 2022 |
| 6. | I.L. Grothaus, Giovanni Bussi, Lucio Colombi Ciacchi
Exploration, representation and rationalization of the conformational phase-space of N-glycans (Poster) 8th yearly meeting of CCPBioSim, Frontiers in Biomolecular Simulation, Edinburgh (UK), June 2022 |
| 5. | I.L. Grothaus, Giovanni Bussi, Lucio Colombi Ciacchi
Exploration, representation and rationalization of the conformational phase-space of N-glycans (Poster) DESY Symposium: Biophysics at the dawn of exascale computers, Hamburg (Germany), May 2022 |
| 4. | I.L. Grothaus, Giovanni Bussi, Lucio Colombi Ciacchi
N-glycan conformers explored by enhanced sampling and machine learning (Poster) 13th European Biophysics Conference, Vienna (Austria), July 2021 |
| 3. | I.L. Grothaus, Giovanni Bussi, Lucio Colombi Ciacchi
N-glycan conformers explored by enhanced sampling and machine learning (Talk) Mixed-Gen Session 6: Activated Events (online), hosted by CECAM Headquarters, June 2021 |
| 2. | I.L. Grothaus, Giovanni Bussi, Lucio Colombi Ciacchi
Towards sufficient description of N-glycan conformations (Poster) PLUMED Masterclass (online), May 2021 |
| 1. | I.L. Grothaus, Jana Rosenau, Nilima Dinesh kumar, Lucio Colombi Ciacchi, Sørge Kelm, Mario Waespy
Role of N-glycosylation on structure-function relations of Trypanosoma congolense trans-sialidase (Poster) Society for Glycobioloogy - Annual Meeting, (online) Phoenix (Arizona, USA), November 2020 |