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Manuscript type (click on type for subselection) | No. | Publikationen | Jahr | Link |
---|---|---|---|---|
type | No. | Publikationen | Jahr | Link |
Journal Article | 85 | Schomburg, K., Ehrlich, H.-C., Stierand, K., Rarey, M. From Structure Diagrams to Visual Chemical Patterns Journal of Chemical Information and Modeling, 50(9): 1529-1535. |
2010 | Schomburg, K., Ehrlich, H.-C., Stierand, K., Rarey, M. (2010) From Structure Diagrams to Visual Chemical Patterns . Journal of Chemical Information and Modeling, 50(9):1529-1535. |
Journal Article | 313 | Schomburg, K. T., Ardao, I., Götz, K., Rieckenberg, F., Liese, A., Zeng, A.-P., M., Rarey. Computational biotechnology: Prediction of competitive substrate inhibition of enzymes by buffer compounds with protein-ligand docking Journal of Biotechnology, 161: 391-401. |
2012 | Schomburg, K. T., Ardao, I., Götz, K., Rieckenberg, F., Liese, A., Zeng, A.-P., M., Rarey. (2012) Computational biotechnology: Prediction of competitive substrate inhibition
of enzymes by buffer compounds with protein-ligand docking . Journal of Biotechnology, 161:391-401. |
Journal Article | 341 | Schomburg, K., Wetzer, L., Rarey, M. Interactive design of generic chemical patterns Drug Discovery Today, 13: 1-8. |
2013 | Schomburg, K., Wetzer, L., Rarey, M. (2013) Interactive design of generic chemical patterns . Drug Discovery Today, 13:1-8. |
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 | 343 | Schomburg, K., Stierand, K., Rarey, M. Informative Molekulare Visualisierung: Innovative grafische Darstellungen von Molekülmodellen veranschaulichen komplexe Zusammenhänge BIOspektrum, 2: 146-148. |
2013 | Schomburg, K., Stierand, K., Rarey, M. (2013) Informative Molekulare Visualisierung: Innovative grafische Darstellungen von Molekülmodellen veranschaulichen komplexe Zusammenhänge . BIOspektrum, 2:146-148. |
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 | 381 | Schomburg, K.T.; Rarey, M. Benchmark Data Sets for Structure-Based Computational Target Prediction Journal of Chemical Information and Modeling, 54(8): 2261-2274. |
2014 | Schomburg, K.T.; Rarey, M. (2014) Benchmark Data Sets for Structure-Based Computational Target Prediction . Journal of Chemical Information and Modeling, 54(8):2261-2274. |
Journal Article | 388 | Schomburg, K., Rarey, M. What is the potential of structure-based target prediction methods? Future Medicinal Chemistry, 6(18): 1987 - 1989. |
2014 | Schomburg, K., Rarey, M. (2014) What is the potential of structure-based target prediction methods? . Future Medicinal Chemistry, 6(18):1987 - 1989. |
Journal Article | 448 | Bietz, S.; Schomburg, K. T.; Hilbig, M.; Rarey, M. Discriminative Chemical Patterns: Automatic and Interactive Design Journal of Chemical Information and Modeling, 55(8): 1535–1546. |
2015 | Bietz, S.; Schomburg, K. T.; Hilbig, M.; Rarey, M. (2015) Discriminative Chemical Patterns: Automatic and Interactive Design . Journal of Chemical Information and Modeling, 55(8):1535–1546. |
Journal Article | 486 | Schomburg, K.T.; Nittinger, E.; Meyder, A.; Bietz,S.; Schneider, N.; Lange, G.; Klein, R.; Rarey, M. Prediction of protein mutation effects based on dehydration and hydrogen bonding - A large-scale study Proteins, 85(8): 1550-1566. |
2017 | Schomburg, K.T.; Nittinger, E.; Meyder, A.; Bietz,S.; Schneider, N.; Lange, G.; Klein, R.; Rarey, M. (2017) Prediction of protein mutation effects based on dehydration and hydrogen bonding - A large-scale study . Proteins, 85(8):1550-1566. |
Journal Article | 487 | Nittinger, E.; Inhester, T.; Bietz, S.; Meyder, A.; Schomburg, K.T.; Lange, G.; Klein, R.; Rarey, M. A Large-Scale Analysis of Hydrogen Bond Interaction Patterns in Protein-Ligand Interfaces Journal of Medicinal Chemistry, 60: 4245-4257. |
2017 | Nittinger, E.; Inhester, T.; Bietz, S.; Meyder, A.; Schomburg, K.T.; Lange, G.; Klein, R.; Rarey, M. (2017) A Large-Scale Analysis of Hydrogen Bond Interaction Patterns in Protein-Ligand Interfaces . Journal of Medicinal Chemistry, 60:4245-4257. |
Journal Article | 492 | Bietz, S.; Inhester, T.; Lauck, F.; Sommer, K.; von Behren, M.; Fährrolfes, R.; Flachsenberg, F.; Meyder, A.; Nittinger, E.; Otto, T.; Hilbig, M.; Schomburg, K.; Volkamer, A.; Rarey, M. From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library Journal of Biotechnology, 261: 207-214. |
2017 | Bietz, S.; Inhester, T.; Lauck, F.; Sommer, K.; von Behren, M.; Fährrolfes, R.; Flachsenberg, F.; Meyder, A.; Nittinger, E.; Otto, T.; Hilbig, M.; Schomburg, K.; Volkamer, A.; Rarey, M. (2017) From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library . Journal of Biotechnology, 261:207-214. |
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