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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 | 457 | Guba, W.; Meyder, A.; Rarey, M.; Hert, J. Torsion Library Reloaded: A New Version of Expert-Derived SMARTS rules for Assessing Conformations of Small Molecules Journal of Chemical Information and Modeling, 56(1): 1-5. |
2016 | Guba, W.; Meyder, A.; Rarey, M.; Hert, J. (2016) Torsion Library Reloaded: A New Version of Expert-Derived SMARTS rules
for Assessing Conformations of Small Molecules . Journal of Chemical Information and Modeling, 56(1):1-5. |
Journal Article | 483 | Friedrich, N.-O.; Meyder, A.; Sommer, K.; Flachsenberg, F.; de Bruyn Kops, C.; Rarey, M.; Kirchmair, J. High-quality dataset of protein-bound ligand conformations and its application to benchmarking conformer ensemble generators Journal of Chemical Information and Modeling, 57(3): 529-539. |
2017 | Friedrich, N.-O.; Meyder, A.; Sommer, K.; Flachsenberg, F.; de Bruyn Kops, C.; Rarey, M.; Kirchmair, J. (2017) High-quality dataset of protein-bound ligand conformations and its application to benchmarking conformer ensemble generators . Journal of Chemical Information and Modeling, 57(3):529-539. |
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 | 497 | Meyder, A.; Nittinger, E.; Lange, G.; Klein, R.; Rarey, M. Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures Journal of Chemical Information and Modeling, 57(10): 2437–2447. |
2017 | Meyder, A.; Nittinger, E.; Lange, G.; Klein, R.; Rarey, M. (2017) Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures . Journal of Chemical Information and Modeling, 57(10):2437–2447. |
Journal Article | 518 | Meyder, A.; Kampen, S.; Sieg, J.; Fährrolfes, R.; Friedrich, N.-O.; Flachsenberg, F.; Rarey, M. StructureProfiler: An all-in-one Tool for 3D Protein Structure Profiling Bioinformatics, 35(5): 874-876. |
2018 | Meyder, A.; Kampen, S.; Sieg, J.; Fährrolfes, R.; Friedrich, N.-O.; Flachsenberg, F.; Rarey, M. (2018) StructureProfiler: An all-in-one Tool for 3D Protein Structure Profiling . Bioinformatics, 35(5):874-876. |
Journal Article | 531 | Friedrich, N.-O.; Flachsenberg, F.; Meyder, A.; Sommer, K.; Kirchmair, J.; Rarey, M. Conformator: A Novel Method for the Generation of Conformer Ensembles Journal of Chemical Information and Modeling, 59(2): 731-742. |
2019 | Friedrich, N.-O.; Flachsenberg, F.; Meyder, A.; Sommer, K.; Kirchmair, J.; Rarey, M. (2019) Conformator: A Novel Method for the Generation of Conformer Ensembles . Journal of Chemical Information and Modeling, 59(2):731-742. |
Journal Article | 538 | Schöning-Stierand, K.; Diedrich, K.; Fährrolfes, R.; Flachsenberg, F.; Meyder, A.; Nittinger, E.; Steinegger, R.; Rarey, M. ProteinsPlus: interactive analysis of protein–ligand binding interfaces Nucleic Acids Research, 48(W1): W48-W53. |
2020 | Schöning-Stierand, K.; Diedrich, K.; Fährrolfes, R.; Flachsenberg, F.; Meyder, A.; Nittinger, E.; Steinegger, R.; Rarey, M. (2020) ProteinsPlus: interactive analysis of protein–ligand binding interfaces . Nucleic Acids Research, 48(W1):W48-W53. |
Journal Article | 544 | Flachsenberg, F.; Meyder, A.; Sommer, K.; Penner, P.; Rarey, M. A Consistent Scheme for Gradient-Based Optimization of Protein–Ligand Poses Journal of Chemical Information and Modeling |
2020 | Flachsenberg, F.; Meyder, A.; Sommer, K.; Penner, P.; Rarey, M. (2020) A Consistent Scheme for Gradient-Based Optimization of Protein–Ligand Poses . Journal of Chemical Information and Modeling |
Journal Article | 548 | Flachsenberg, F.; Meyder, A.; Sommer, K.; Penner, P.; Rarey, M. A Consistent Scheme for Gradient-Based Optimization of Protein–Ligand Poses Journal of Chemical Information and Modeling, 60(12): 6502–6522. |
2012 | Flachsenberg, F.; Meyder, A.; Sommer, K.; Penner, P.; Rarey, M. (2012) A Consistent Scheme for Gradient-Based Optimization of Protein–Ligand Poses . Journal of Chemical Information and Modeling, 60(12):6502–6522. |
Journal Article | 558 | Penner, P.; Guba, W.; Schmidt, R.; Meyder, A.; Stahl, M.; Rarey, M. The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare Journal of Chemical Information and Modeling, 62(7): 1644–1653. |
2022 | Penner, P.; Guba, W.; Schmidt, R.; Meyder, A.; Stahl, M.; Rarey, M. (2022) The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare . Journal of Chemical Information and Modeling, 62(7):1644–1653. |
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