Klaus-Jürgen Schleifer

According to our database, Klaus-Jürgen Schleifer authored at least 10 papers between 1997 and 2026.

Collaborative distances:

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

2026

Binding Site Vectors Enable Mapping of Cytochrome P450 Functional Landscapes.

Tea Kuvek, Zuzana Jandová, Klaus-Jürgen Schleifer, Chris Oostenbrink

J. Chem. Inf. Model., 2026

AutoPocket2CREST: Automating Binding Pocket Extraction for the CREST Conformer Generation Pipeline.

Christian Fellinger, Marion Sappl, András Szabadi, Benjamin Merget, Klaus-Jürgen Schleifer, Thierry Langer

J. Chem. Inf. Model., 2026

2025

Site-of-Metabolism Prediction with Aleatoric and Epistemic Uncertainty Quantification.

Roxane Axel Jacob, Oliver Wieder, Ya Chen, Angelica Mazzolari, Andreas Bergner, Klaus-Jürgen Schleifer, Johannes Kirchmair

J. Chem. Inf. Model., 2025

GRADE and X-GRADE: Unveiling Novel Protein-Ligand Interaction Fingerprints Based on GRAIL Scores.

Christian Fellinger, Thomas Seidel, Benjamin Merget, Klaus-Jürgen Schleifer, Thierry Langer

J. Chem. Inf. Model., 2025

2020

KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development.

Andrea Morger, Miriam Mathea, Janosch Achenbach, Antje Wolf, Roland Buesen, Klaus-Jürgen Schleifer, Robert Landsiedel, Andrea Volkamer

J. Cheminformatics, 2020

2014

Generalized Workflow for Generating Highly Predictive in Silico Off-Target Activity Models.

Lennart T. Anger, Antje Wolf, Klaus-Jürgen Schleifer, Dieter Schrenk, Sebastian G. Rohrer

J. Chem. Inf. Model., 2014

2013

Challenges in agrochemicals design.

Klaus-Jürgen Schleifer

J. Cheminformatics, 2013

2000

Pharmacophore modelling of structurally unusual diltiazem mimics at L-type calcium channels.

Klaus-Jürgen Schleifer, E. Tot

J. Comput. Aided Mol. Des., 2000

Pseudoreceptor model for ryanodine derivatives at calcium release channels.

Klaus-Jürgen Schleifer

J. Comput. Aided Mol. Des., 2000

1997

Comparative molecular modelling study of the calcium channel blockers nifedipine and black mamba toxin FS2.

Klaus-Jürgen Schleifer

J. Comput. Aided Mol. Des., 1997