Paul Katzberger

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 11

Top Topics

Gas Chromatography

Molecular Dynamics Simulations

Transition Metal

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry letters

Chemical science

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Gregory A Landrum, Jessica Braun, Paul Katzberger, Marc T Lehner, Sereina Riniker
lwreg: A Lightweight System for Chemical Registration and Data Storage. Journal of chemical information and modeling 64 (16) (2024)
Gregory A Landrum, Jessica Braun, Paul Katzberger, Marc T Lehner, Sereina Riniker
lwreg: A Lightweight System for Chemical Registration and Data Storage. Journal of chemical information and modeling 64 (16) (2024)
Gregory A Landrum, Jessica Braun, Paul Katzberger, Marc T Lehner, Sereina Riniker
lwreg: A Lightweight System for Chemical Registration and Data Storage. Journal of chemical information and modeling (2024)
Lukas R Benzenberg, Paul Katzberger, Ri Wu, Jonas B Metternich, Sereina Riniker, Renato Zenobi
Probing the Stability of a β-Hairpin Scaffold after Desolvation. The journal of physical chemistry letters 15 (19) (2024)
Paul Katzberger, Sereina Riniker
A general graph neural network based implicit solvation model for organic molecules in water. Chemical science 15 (28) (2024)
Lukas R Benzenberg, Paul Katzberger, Ri Wu, Jonas B Metternich, Sereina Riniker, Renato Zenobi
Probing the Stability of a β-Hairpin Scaffold after Desolvation. The journal of physical chemistry letters 15 (19) (2024)
Paul Katzberger, Sereina Riniker
A general graph neural network based implicit solvation model for organic molecules in water. Chemical science 15 (28) (2024)
Lukas R Benzenberg, Paul Katzberger, Ri Wu, Jonas B Metternich, Sereina Riniker, Renato Zenobi
Probing the Stability of a β-Hairpin Scaffold after Desolvation. The journal of physical chemistry letters (2024)
Gregory A Landrum, Jessica Braun, Paul Katzberger, Marc T Lehner, Sereina Riniker
lwreg: A Lightweight System for Chemical Registration and Data Storage. Journal of chemical information and modeling 64 (16) (2024)
Paul Katzberger, Sereina Riniker
Implicit solvent approach based on generalized Born and transferable graph neural networks for molecular dynamics simulations. The Journal of chemical physics 158 (20) (2023)
Marc T Lehner, Paul Katzberger, Niels Maeder, Carl C G Schiebroek, Jakob Teetz, Gregory A Landrum, Sereina Riniker
DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment. Journal of chemical information and modeling (2023)