Klaus-Juergen Schleifer

6PUBLICATIONS
20CO-AUTHORS
Automated software engineeringTranslational and applied bioinformaticsProcess control and simulationCheminformatics and quantitative structure-activity relationshipsComputational chemistry
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Publications (6)

|Mar 23, 2026
AutoPocket2CREST: Automating Binding Pocket Extraction for the CREST Conformer Generation Pipeline.

Christian Fellinger, Marion Sappl, András Szabadi

|Jan 26, 2026
Binding Site Vectors Enable Mapping of Cytochrome P450 Functional Landscapes.

Tea Kuvek, Zuzana Jandová, Klaus-Juergen Schleifer

|Aug 06, 2025
Site-of-Metabolism Prediction with Aleatoric and Epistemic Uncertainty Quantification.

Roxane Axel Jacob, Oliver Wieder, Ya Chen

|Feb 21, 2025
GRADE and X-GRADE: Unveiling Novel Protein-Ligand Interaction Fingerprints Based on GRAIL Scores.

Christian Fellinger, Thomas Seidel, Benjamin Merget

|Jan 12, 2021
KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development.

Andrea Morger, Miriam Mathea, Janosch H Achenbach

|Nov 13, 2020
In Silico Models to Predict the Perturbation of Molecular Initiating Events Related to Thyroid Hormone Homeostasis.

Marina Garcia de Lomana, Andreas Georg Weber, Barbara Birk

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Frequent Collaborators

2 joint publications

Janosch H Achenbach

2 joint publications

Miriam Mathea

2 joint publications

Johannes Kirchmair

2 joint publications

Thierry Langer