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541 |
Diedrich, K.; Graef, J.; Schöning-Stierand, K.; Rarey, M.
GeoMine: interactive pattern mining of protein–ligand interfaces in the Protein Data Bank
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2020541 |
Diedrich, K.; Graef, J.; Schöning-Stierand, K.; Rarey, M. (2020) GeoMine: interactive pattern mining of protein–ligand interfaces in the Protein Data Bank . Bioinformatics, 37(3):424-425. |
| Journal Article |
552 |
Graef, J.; Ehrt, C.; Diedrich, K.; Poppinga, M.; Ritter, N.; Rarey, M.
Searching Geometric Patterns in Protein Binding Sites and Their Application to Data Mining in Protein Kinase Structures
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2021552 |
Graef, J.; Ehrt, C.; Diedrich, K.; Poppinga, M.; Ritter, N.; Rarey, M. (2021) Searching Geometric Patterns in Protein Binding Sites and Their Application to Data Mining in Protein Kinase Structures . Journal of Medicinal Chemistry, 65(2):1384-1395. |
| Journal Article |
561 |
Schöning-Stierand, K.; Diedrich, K.; Ehrt, C.; Flachsenberg, F.; Graef, J.; Sieg, J.; Penner, P.; Poppinga, M.; Ungethüm, A.; Rarey, M.
ProteinsPlus: a comprehensive collection of web-based molecular modeling tools
Nucleic Acids Research, 50(1): W611-W615. |
2022561 |
Schöning-Stierand, K.; Diedrich, K.; Ehrt, C.; Flachsenberg, F.; Graef, J.; Sieg, J.; Penner, P.; Poppinga, M.; Ungethüm, A.; Rarey, M. (2022) ProteinsPlus: a comprehensive collection of web-based molecular modeling tools . Nucleic Acids Research, 50(1):W611-W615. |
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570 |
Graef, J.; Ehrt, C.; Rarey, M.
Binding Site Detection Remastered: Enabling Fast, Robust, and Reliable Binding Site Detection and Descriptor Calculation with DoGSite3
Journal of Chemical Information and Modeling, 63(10): 3128-3137. |
2023570 |
Graef, J.; Ehrt, C.; Rarey, M. (2023) Binding Site Detection Remastered: Enabling Fast, Robust, and Reliable Binding Site Detection and Descriptor Calculation with DoGSite3 . Journal of Chemical Information and Modeling, 63(10):3128-3137. |
| Journal Article |
578 |
Reim, T.; Ehrt, C.; Graef, J.; Günther, S.; Meents; Rarey, M.
SiteMine: Large-scale binding site similarity searching in protein structure databases
Archiv der Pharmazie, 357(5) |
2024578 |
Reim, T.; Ehrt, C.; Graef, J.; Günther, S.; Meents; Rarey, M. (2024) SiteMine: Large-scale binding site similarity searching in protein structure databases . Archiv der Pharmazie, 357(5) |
| Conference Proceedings |
580 |
Poppinga, M.; Graef, J.; Diedrich, K.; Rarey, M., Ritter, N.
Database and Workflow Optimizations for Spatial-Geometric Queries in GeoMine
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2024580 |
Poppinga, M.; Graef, J.; Diedrich, K.; Rarey, M., Ritter, N. (2024) Database and Workflow Optimizations for Spatial-Geometric Queries in GeoMine . |
| Journal Article |
581 |
Graef, J.; Ehrt, C.; Reim, T.; Rarey, M.
Database-Driven Identification of Structurally Similar Protein-Protein Interfaces
Journal of Chemical Information and Modeling |
2024581 |
Graef, J.; Ehrt, C.; Reim, T.; Rarey, M. (2024) Database-Driven Identification of Structurally Similar Protein-Protein Interfaces . Journal of Chemical Information and Modeling |