| Journal Article |
566 |
Hönig, S.M.N.; Lemmen, C.; Rarey, M. Small molecule superposition: A comprehensive overview on pose scoring of the latest methods WIREs Computational Molecular Science, 13(7) |
2022566 |
Hönig, S.M.N.; Lemmen, C.; Rarey, M. (2022) Small molecule superposition: A comprehensive overview on pose scoring of the latest methods . WIREs Computational Molecular Science, 13(7) |
| Journal Article |
585 |
Hönig, S.M.N.; Flachsenberg, F.; Ehrt, C.; Neumann, A.; Schmidt, R.; Lemmen, C.; Rarey, M. SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces Journal of Computer-Aided Molecular Design, 38: 13. |
2024585 |
Hönig, S.M.N.; Flachsenberg, F.; Ehrt, C.; Neumann, A.; Schmidt, R.; Lemmen, C.; Rarey, M. (2024) SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces . Journal of Computer-Aided Molecular Design, 38:13. |
| Journal Article |
597 |
Hönig, S. M. N.; Gutermuth, T.; Ehrt, C.; Lemmen, C.; Rarey, M. Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays Journal of Computer-Aided Molecular Design, 39(1): 2. |
2024597 |
Hönig, S. M. N.; Gutermuth, T.; Ehrt, C.; Lemmen, C.; Rarey, M. (2024) Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays . Journal of Computer-Aided Molecular Design, 39(1):2. |
| Journal Article |
598 |
Gutermuth, T.; Ehmki, E. S. R.; Flachsenberg, F.; Penner, P.; Hönig, S. M. N.; Harren, T.; Rarey, M. Enabling Automatic Generation of Protein-Ligand Complex Datasets with Atomistic Detail Journal of Chemical Information and Modeling |
2026598 |
Gutermuth, T.; Ehmki, E. S. R.; Flachsenberg, F.; Penner, P.; Hönig, S. M. N.; Harren, T.; Rarey, M. (2026) Enabling Automatic Generation of Protein-Ligand Complex Datasets with Atomistic Detail . Journal of Chemical Information and Modeling |