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@phdthesis{DBLP:phd/basesearch/Kops20,
  author       = {Christina de Bruyn Kops},
  title        = {Development of Computational Approaches for the Prediction of Regioselectivity
                  and the Likely Products of Xenobiotic Metabolism},
  school       = {University of Hamburg, Germany},
  year         = {2020}
}

@article{DBLP:journals/bioinformatics/StorkESKCSK20,
  author       = {Conrad Stork and
                  Gerd Embruch and
                  Martin S{\'{\i}}cho and
                  Christina de Bruyn Kops and
                  Ya Chen and
                  Daniel Svozil and
                  Johannes Kirchmair},
  title        = {{NERDD:} a web portal providing access to in silico tools for drug
                  discovery},
  journal      = {Bioinform.},
  volume       = {36},
  number       = {4},
  pages        = {1291--1292},
  year         = {2020}
}

@article{DBLP:journals/jcisd/SichoSMKPTVSK19,
  author       = {Martin S{\'{\i}}cho and
                  Conrad Stork and
                  Angelica Mazzolari and
                  Christina de Bruyn Kops and
                  Alessandro Pedretti and
                  Bernard Testa and
                  Giulio Vistoli and
                  Daniel Svozil and
                  Johannes Kirchmair},
  title        = {{FAME} 3: Predicting the Sites of Metabolism in Synthetic Compounds
                  and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes},
  journal      = {J. Chem. Inf. Model.},
  volume       = {59},
  number       = {8},
  pages        = {3400--3412},
  year         = {2019}
}

@article{DBLP:journals/jcisd/ChenKK17,
  author       = {Ya Chen and
                  Christina de Bruyn Kops and
                  Johannes Kirchmair},
  title        = {Data Resources for the Computer-Guided Discovery of Bioactive Natural
                  Products},
  journal      = {J. Chem. Inf. Model.},
  volume       = {57},
  number       = {9},
  pages        = {2099--2111},
  year         = {2017}
}

@article{DBLP:journals/jcisd/FriedrichKFSRK17,
  author       = {Nils{-}Ole Friedrich and
                  Christina de Bruyn Kops and
                  Florian Flachsenberg and
                  Kai Sommer and
                  Matthias Rarey and
                  Johannes Kirchmair},
  title        = {Benchmarking Commercial Conformer Ensemble Generators},
  journal      = {J. Chem. Inf. Model.},
  volume       = {57},
  number       = {11},
  pages        = {2719--2728},
  year         = {2017}
}

@article{DBLP:journals/jcisd/FriedrichMKSFRK17,
  author       = {Nils{-}Ole Friedrich and
                  Agnes Meyder and
                  Christina de Bruyn Kops and
                  Kai Sommer and
                  Florian Flachsenberg and
                  Matthias Rarey and
                  Johannes Kirchmair},
  title        = {High-Quality Dataset of Protein-Bound Ligand Conformations and Its
                  Application to Benchmarking Conformer Ensemble Generators},
  journal      = {J. Chem. Inf. Model.},
  volume       = {57},
  number       = {3},
  pages        = {529--539},
  year         = {2017}
}

@article{DBLP:journals/jcisd/KopsFK17,
  author       = {Christina de Bruyn Kops and
                  Nils{-}Ole Friedrich and
                  Johannes Kirchmair},
  title        = {Alignment-Based Prediction of Sites of Metabolism},
  journal      = {J. Chem. Inf. Model.},
  volume       = {57},
  number       = {6},
  pages        = {1258--1264},
  year         = {2017}
}

@article{DBLP:journals/jcisd/SichoKSSK17,
  author       = {Martin S{\'{\i}}cho and
                  Christina de Bruyn Kops and
                  Conrad Stork and
                  Daniel Svozil and
                  Johannes Kirchmair},
  title        = {{FAME} 2: Simple and Effective Machine Learning Model of Cytochrome
                  {P450} Regioselectivity},
  journal      = {J. Chem. Inf. Model.},
  volume       = {57},
  number       = {8},
  pages        = {1832--1846},
  year         = {2017}
}