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Manuscript type (click on type for subselection) | No. | Publikationen | Jahr | Link |
---|---|---|---|---|
type | No. | Publikationen | Jahr | Link |
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 | 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 | 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 | 498 | Wagner, V.; Jantz, L.; Briem, H.; Sommer, K.; Rarey, M., Christ, C. Computational Macrocyclization: From de novo Macrocycle Generation to Binding Affinity Estimation ChemMedChem, 12(22): 1866-1872. |
2017 | Wagner, V.; Jantz, L.; Briem, H.; Sommer, K.; Rarey, M., Christ, C. (2017) Computational Macrocyclization: From de novo Macrocycle Generation to Binding Affinity Estimation . ChemMedChem, 12(22):1866-1872. |
Journal Article | 499 | Friedrich, N.-O.; de Bruyn Kops, Christina; Flachsenberg, F.; Sommer, K.; Rarey, M.; Kirchmair, J. Benchmarking Commercial Conformer Ensemble Generators Journal of Chemical Information and Modeling, 57(11): 2719-2728. |
2017 | Friedrich, N.-O.; de Bruyn Kops, Christina; Flachsenberg, F.; Sommer, K.; Rarey, M.; Kirchmair, J. (2017) Benchmarking Commercial Conformer Ensemble Generators . Journal of Chemical Information and Modeling, 57(11):2719-2728. |
Journal Article | 524 | Sommer, K.; Flachsenberg, F.; Rarey, M. NAOMInext - Synthetically feasible fragment growing in a structure-based design context European Journal of Medicinal Chemistry, 163: 747-762. |
2018 | Sommer, K.; Flachsenberg, F.; Rarey, M. (2018) NAOMInext - Synthetically feasible fragment growing in a structure-based design context . European Journal of Medicinal Chemistry, 163:747-762. |
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 | 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. |
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