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ORCIDChristina de Bruyn Kops
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2020 – today
- 2020
[b1]Christina de Bruyn Kops:
Development of Computational Approaches for the Prediction of Regioselectivity and the Likely Products of Xenobiotic Metabolism. University of Hamburg, Germany, 2020- [j7]Conrad Stork
, Gerd Embruch, Martin Sícho, Christina de Bruyn Kops, Ya Chen, Daniel Svozil, Johannes Kirchmair:
NERDD: a web portal providing access to in silico tools for drug discovery. Bioinform. 36(4): 1291-1292 (2020)
2010 – 2019
- 2019
- [j6]Martin Sícho, Conrad Stork, Angelica Mazzolari, Christina de Bruyn Kops, Alessandro Pedretti, Bernard Testa, Giulio Vistoli, Daniel Svozil, Johannes Kirchmair:
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes. J. Chem. Inf. Model. 59(8): 3400-3412 (2019) - 2017
- [j5]Nils-Ole Friedrich, Agnes Meyder, Christina de Bruyn Kops, Kai Sommer, Florian Flachsenberg, Matthias Rarey, Johannes Kirchmair:
High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators. J. Chem. Inf. Model. 57(3): 529-539 (2017) - [j4]Christina de Bruyn Kops, Nils-Ole Friedrich, Johannes Kirchmair:
Alignment-Based Prediction of Sites of Metabolism. J. Chem. Inf. Model. 57(6): 1258-1264 (2017) - [j3]Martin Sícho, Christina de Bruyn Kops, Conrad Stork, Daniel Svozil, Johannes Kirchmair:
FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity. J. Chem. Inf. Model. 57(8): 1832-1846 (2017) - [j2]Ya Chen, Christina de Bruyn Kops, Johannes Kirchmair:
Data Resources for the Computer-Guided Discovery of Bioactive Natural Products. J. Chem. Inf. Model. 57(9): 2099-2111 (2017) - [j1]Nils-Ole Friedrich, Christina de Bruyn Kops, Florian Flachsenberg, Kai Sommer, Matthias Rarey, Johannes Kirchmair:
Benchmarking Commercial Conformer Ensemble Generators. J. Chem. Inf. Model. 57(11): 2719-2728 (2017)
Coauthor Index
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