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Manuscript type (click on type for subselection) | No. | Publications | Year | Link |
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type | No. | Publications | Year | Link |
Journal Article | 301 | Urbaczek, S., Kolodzik, A., Fischer, J. R., Lippert, T., Heuser, S., Schulz-Gasch, T., Rarey, M. NAOMI: On the Almost Trivial Task of Reading Molecules from Different File formats Journal of Chemical Information and Modeling, 51(12): 3199-3207. |
2011 | Urbaczek, S., Kolodzik, A., Fischer, J. R., Lippert, T., Heuser, S., Schulz-Gasch, T., Rarey, M. (2011) NAOMI: On the Almost Trivial Task of Reading Molecules
from Different File formats . Journal of Chemical Information and Modeling, 51(12):3199-3207. |
Journal Article | 334 | Kolodzik, A., Urbaczek, S., Rarey, M. Unique Ring Families: A Chemically Meaningful Description of Molecular Ring Topologies Journal of Chemical Information and Modeling, 52(8): 2013-2021. |
2012 | Kolodzik, A., Urbaczek, S., Rarey, M. (2012) Unique Ring Families: A Chemically Meaningful Description of Molecular Ring Topologies . Journal of Chemical Information and Modeling, 52(8):2013-2021. |
Journal Article | 336 | Urbaczek, S., Kolodzik, A., Heuser, S., Groth, I., Rarey, M. Reading PDB: Perception of Molecules from 3D Atomic Coordinates Journal of Chemical Information and Modeling, 53(1): 76-87. |
2013 | Urbaczek, S., Kolodzik, A., Heuser, S., Groth, I., Rarey, M. (2013) Reading PDB: Perception of Molecules from 3D Atomic Coordinates . Journal of Chemical Information and Modeling, 53(1):76-87. |
Journal Article | 342 | von Behren, M., Volkamer, A., Henzler, A.M., Schomburg, K., Urbaczek, S., Rarey, M. Fast Protein Binding Site Comparison via an Index-Based Screening Technology Journal of Chemical Information and Modeling, 53: 411-422. |
2013 | von Behren, M., Volkamer, A., Henzler, A.M., Schomburg, K., Urbaczek, S., Rarey, M. (2013) Fast Protein Binding Site Comparison via an Index-Based Screening Technology . Journal of Chemical Information and Modeling, 53:411-422. |
Journal Article | 359 | Hilbig, M.; Urbaczek, S.; Groth, I.; Heuser, S.; Rarey, M. MONA - Interactive manipulation of molecule collections Journal of Cheminformatics, 5 (38) |
2013 | Hilbig, M.; Urbaczek, S.; Groth, I.; Heuser, S.; Rarey, M. (2013) MONA - Interactive manipulation of molecule collections . Journal of Cheminformatics, 5 (38) |
Journal Article | 368 | Urbaczek, S., Kolodzik, A., Rarey, M. The Valence State Combination Model: A generic framework for handling tautomers and protonation states Journal of Chemical Information and Modeling, 54(3): 756-766. |
2014 | Urbaczek, S., Kolodzik, A., Rarey, M. (2014) The Valence State Combination Model: A generic framework for handling tautomers and protonation states . Journal of Chemical Information and Modeling, 54(3):756-766. |
Journal Article | 371 | Bietz, S.; Urbaczek, S.; Schulz, B.; Rarey, M. Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes Journal of Cheminformatics, 6(12): 1-12. |
2014 | Bietz, S.; Urbaczek, S.; Schulz, B.; Rarey, M. (2014) Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes . Journal of Cheminformatics, 6(12):1-12. |
Journal Article | 376 | Schomburg, K.T.; Bietz, S.; Briem, H.; Henzler, A.M.; Urbaczek, S.; Rarey, M. Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening Journal of Chemical Information and Modeling, 54(6): 1676-1686. |
2014 | Schomburg, K.T.; Bietz, S.; Briem, H.; Henzler, A.M.; Urbaczek, S.; Rarey, M. (2014) Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening . Journal of Chemical Information and Modeling, 54(6):1676-1686. |
Journal Article | 377 | Henzler, A.M., Urbaczek, S., Hilbig, M., Rarey, M. An integrated approach to knowledge-driven structure-based virtual screening Journal of Computer-Aided Molecular Design, 28(9): 927-39. |
2014 | Henzler, A.M., Urbaczek, S., Hilbig, M., Rarey, M. (2014) An integrated approach to knowledge-driven structure-based virtual screening . Journal of Computer-Aided Molecular Design, 28(9):927-39. |
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