PDFs anfordern:
Um eine PDF-Kopie einer Publikation anzufordern, markieren Sie bitte die entsprechende Publikation durch Klick auf den PDF-Button. Mehrere Auswahlen sind möglich. Geben Sie dann bitte am Ende der Seite Ihre eMailadresse an und klicken auf "PDF's anfordern".
Manuscript type (click on type for subselection) | No. | Publikationen | Jahr | Link |
---|---|---|---|---|
type | No. | Publikationen | Jahr | Link |
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 | 447 | Bietz, S.; Rarey, M. ASCONA: Rapid Detection and Alignment of Protein Binding Site Conformations Journal of Chemical Information and Modeling, 55(8): 1747–1756. |
2015 | Bietz, S.; Rarey, M. (2015) ASCONA: Rapid Detection and Alignment of Protein Binding Site
Conformations . Journal of Chemical Information and Modeling, 55(8):1747–1756. |
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 | 459 | Bietz, S.; Rarey, M. SIENA: Efficient Compilation of Selective Protein Binding Site Ensembles Journal of Chemical Information and Modeling, 56(1): 248-59. |
2016 | Bietz, S.; Rarey, M. (2016) SIENA: Efficient Compilation of Selective Protein Binding Site Ensembles . Journal of Chemical Information and Modeling, 56(1):248-59. |
Journal Article | 464 | Bietz, S.; Fährrolfes, R.; Rarey, M. The Art of Compiling Protein Binding Site Ensembles Molecular Informatics, 35(11/12): 593-598. |
2016 | Bietz, S.; Fährrolfes, R.; Rarey, M. (2016) The Art of Compiling Protein Binding Site Ensembles . Molecular Informatics, 35(11/12):593-598. |
Journal Article | 467 | Sommer, K.; Friedrich, N.-O.; Bietz, S.; Hilbig, M.; Inhester, T.; Rarey, M: UNICON: A powerful and easy-to-use compound library converter Journal of Chemical Information and Modeling, 56(6): 1105–1111. |
2016 | Sommer, K.; Friedrich, N.-O.; Bietz, S.; Hilbig, M.; Inhester, T.; Rarey, M: (2016) UNICON: A powerful and easy-to-use compound library converter . Journal of Chemical Information and Modeling, 56(6):1105–1111. |
Journal Article | 471 | von Behren, M.; Bietz, S.; Nittinger, E.; Rarey, M. mRAISE: an alternative algorithmic approach to ligand-based virtual screening Journal of Computer-Aided Molecular Design, 30(8): 583-594. |
2016 | von Behren, M.; Bietz, S.; Nittinger, E.; Rarey, M. (2016) mRAISE: an alternative algorithmic approach to ligand-based virtual screening . Journal of Computer-Aided Molecular Design, 30(8):583-594. |
Journal Article | 479 | Inhester, T.; Bietz, S.; Hilbig, M.; Schmidt, R., Rarey, M. Index-based Searching of Interaction Patterns in Large Collections of Protein-Ligand Interfaces Journal of Chemical Information and Modeling, 57(2): 148-158. |
2017 | Inhester, T.; Bietz, S.; Hilbig, M.; Schmidt, R., Rarey, M. (2017) Index-based Searching of Interaction Patterns in Large Collections of Protein-Ligand Interfaces . Journal of Chemical Information and Modeling, 57(2):148-158. |
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 | 490 | Fährrolfes, R.; Bietz, S.; Flachsenberg, F.; Meyder, A.; Nittinger, E.; Otto, T.; Volkamer, A.; Rarey, M. ProteinsPlus: a web portal for structure analysis of macromolecules Nucleic Acids Research, 45: W337-W343. |
2017 | Fährrolfes, R.; Bietz, S.; Flachsenberg, F.; Meyder, A.; Nittinger, E.; Otto, T.; Volkamer, A.; Rarey, M. (2017) ProteinsPlus: a web portal for structure analysis of macromolecules . Nucleic Acids Research, 45:W337-W343. |
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. |
Journal Article | 496 | Inhester, T.; Nittinger, E.; Sommer, K.; Schmidt, P.; Bietz, S.; Rarey, M. NAOMInova: Interactive Geometric Analysis of Noncovalent Interactions in Macromolecular Structures Journal of Chemical Information and Modeling, 57(9): 2132–2142. |
2017 | Inhester, T.; Nittinger, E.; Sommer, K.; Schmidt, P.; Bietz, S.; Rarey, M. (2017) NAOMInova: Interactive Geometric Analysis of Noncovalent Interactions in Macromolecular Structures . Journal of Chemical Information and Modeling, 57(9):2132–2142. |
Journal Article | 516 | Nittinger, E.; Flachsenberg, F.; Bietz, S.; Lange, G.; Klein, R.; Rarey, M. Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case Examples Journal of Chemical Information and Modeling, 58(8): 1625-1637. |
2018 | Nittinger, E.; Flachsenberg, F.; Bietz, S.; Lange, G.; Klein, R.; Rarey, M. (2018) Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case Examples . Journal of Chemical Information and Modeling, 58(8):1625-1637. |
Book Section | 536 | Volkamer, A.; von Behren, M.; Bietz, S.; Rarey, M. Prediction, Analysis, and Comparison of Active Sites In Applied Cheminformatics - Achievements and Future Opportunities. Wiley. |
2018 | Volkamer, A.; von Behren, M.; Bietz, S.; Rarey, M. (2018) Prediction, Analysis, and Comparison of Active Sites . In Applied Cheminformatics - Achievements and Future Opportunities. Wiley. |
Files successfully requested
Ihre Anfrage wird bearbeitet. Bitte prüfen Sie Ihre Mailbox.