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Torben Gutermuth
Torben Gutermuth
在 uni-hamburg.de 的电子邮件经过验证
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引用次数
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The pocketome of G-protein-coupled receptors reveals previously untargeted allosteric sites
JB Hedderich, M Persechino, K Becker, FM Heydenreich, T Gutermuth, ...
Nature Communications 13 (1), 2567, 2022
682022
Redocking the PDB
F Flachsenberg, C Ehrt, T Gutermuth, M Rarey
Journal of Chemical Information and Modeling 64 (1), 219-237, 2023
122023
Modern machine‐learning for binding affinity estimation of protein–ligand complexes: Progress, opportunities, and challenges
T Harren, T Gutermuth, C Grebner, G Hessler, M Rarey
Wiley Interdisciplinary Reviews: Computational Molecular Science 14 (3), e1716, 2024
62024
Modeling with alternate locations in X-ray protein structures
T Gutermuth, J Sieg, T Stohn, M Rarey
Journal of Chemical Information and Modeling 63 (8), 2573-2585, 2023
42023
Full modification control over retrosynthetic routes for guided optimization of lead structures
U Dolfus, H Briem, T Gutermuth, M Rarey
Journal of Chemical Information and Modeling 63 (21), 6587-6597, 2023
22023
The pocketome of G protein-coupled receptors reveals previously untargeted allosteric sites
P Kolb, J Hedderich, M Persechino, K Becker, F Heydenreich, ...
22021
Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays
S Hönig, T Gutermuth, C Ehrt, C Lemmen, M Rarey
Journal of Computer-Aided Molecular Design 39 (1), 1-15, 2025
2025
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