Christina de Bruyn Kops

According to our database, Christina de Bruyn Kops authored at least 8 papers between 2017 and 2020.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2020

Development of Computational Approaches for the Prediction of Regioselectivity and the Likely Products of Xenobiotic Metabolism

Christina de Bruyn Kops

PhD thesis, 2020

NERDD: a web portal providing access to in silico tools for drug discovery.

Conrad Stork, Gerd Embruch, Martin Sícho, Christina de Bruyn Kops, Ya Chen, Daniel Svozil, Johannes Kirchmair

Bioinform., 2020

2019

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes.

Martin Sícho, Conrad Stork, Angelica Mazzolari, Christina de Bruyn Kops, Alessandro Pedretti, Bernard Testa, Giulio Vistoli, Daniel Svozil, Johannes Kirchmair

J. Chem. Inf. Model., 2019

2017

Benchmarking Commercial Conformer Ensemble Generators.

Nils-Ole Friedrich, Christina de Bruyn Kops, Florian Flachsenberg, Kai Sommer, Matthias Rarey, Johannes Kirchmair

J. Chem. Inf. Model., November, 2017

Data Resources for the Computer-Guided Discovery of Bioactive Natural Products.

Ya Chen, Christina de Bruyn Kops, Johannes Kirchmair

J. Chem. Inf. Model., September, 2017

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity.

Martin Sícho, Christina de Bruyn Kops, Conrad Stork, Daniel Svozil, Johannes Kirchmair

J. Chem. Inf. Model., August, 2017

Alignment-Based Prediction of Sites of Metabolism.

Christina de Bruyn Kops, Nils-Ole Friedrich, Johannes Kirchmair

J. Chem. Inf. Model., June, 2017

High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators.

Nils-Ole Friedrich, Agnes Meyder, Christina de Bruyn Kops, Kai Sommer, Florian Flachsenberg, Matthias Rarey, Johannes Kirchmair

J. Chem. Inf. Model., 2017