Paul Katzberger
11PUBLICATIONS
10CO-AUTHORS
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Publications (11)
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|Dec 09, 2025
Unraveling Torsional Preferences: Comparative Analysis of Torsion Motif Torsional-Angle Distributions across Different Environments.Jessica Braun, Paul Katzberger, Gregory A Landrum
|Jul 28, 2025
Transferring Knowledge from MM to QM: A Graph Neural Network-Based Implicit Solvent Model for Small Organic Molecules.Paul Katzberger, Felix Pultar, Sereina Riniker
|Apr 10, 2025
Rapid Access to Small Molecule Conformational Ensembles in Organic Solvents Enabled by Graph Neural Network-Based Implicit Solvent Model.Paul Katzberger, Lea M Hauswirth, Antonia S Kuhn
|Feb 27, 2025
Correction to "Probing the Stability of a β-Hairpin Scaffold after Desolvation".Lukas R Benzenberg, Paul Katzberger, Ri Wu
|Oct 10, 2024
Understanding and Quantifying Molecular Flexibility: Torsion Angular Bin Strings.Jessica Braun, Paul Katzberger, Gregory A Landrum
|Aug 15, 2024
DASH properties: Estimating atomic and molecular properties from a dynamic attention-based substructure hierarchy.Marc T Lehner, Paul Katzberger, Niels Maeder
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Frequent Collaborators
11 joint publications
Sereina Riniker
6 joint publications
Gregory A Landrum
3 joint publications
Marc T Lehner
3 joint publications
Jessica Braun
2 joint publications
Ri Wu
2 joint publications
Renato Zenobi
1 joint publications
Carl C G Schiebroek
1 joint publications
Niels Maeder
1 joint publications
Lukas R Benzenberg
1 joint publications
Felix Pultar
