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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 | 390 | Nittinger, E.; Schneider, N.; Lange, G.; Rarey, M. Evidence of Water Molecules—A Statistical Evaluation of Water Molecules Based on Electron Density Journal of Chemical Information and Modeling, 55(4): 771 - 783. |
2015 | Nittinger, E.; Schneider, N.; Lange, G.; Rarey, M. (2015) Evidence of Water Molecules—A Statistical Evaluation of Water Molecules Based on Electron Density . Journal of Chemical Information and Modeling, 55(4):771 - 783. |
Book Section | 445 | Schneider,N.; Volkamer,A.; Nittinger,E.; Rarey, M. Supporting Biocatalysis Research with Structural Bioinformatics In Applied Biocatalysis: From Fundamental Science to Industrial Applications (in press) ( Liese, A.; Hilterhaus, L.; Kettling, U.; Antranikian, G. , ed.). Wiley-VCH. |
2015 | Schneider,N.; Volkamer,A.; Nittinger,E.; Rarey, M. (2015) Supporting Biocatalysis Research with Structural Bioinformatics . In Applied Biocatalysis: From Fundamental Science to Industrial Applications (in press) ( Liese, A.; Hilterhaus, L.; Kettling, U.; Antranikian, G. , ed.). Wiley-VCH. |
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 | 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 | 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 | 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. |
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. |
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