Patrick Penner

According to our database, Patrick Penner authored at least 12 papers between 2019 and 2026.

Collaborative distances:

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

2026

Supporting Information for the StrAcTable publication.

Torben Gutermuth, Emanuel S. R. Ehmki, Florian Flachsenberg, Patrick Penner, Sophia M. N. Hönig, Tobias Harren, Matthias Rarey

Dataset, January, 2026

2025

SmartChemist─Simplifying Communication About Organic Chemical Structures.

Torben Gutermuth, Patrick Penner, Jochen Sieg, Uschi Dolfus, Matthias Rarey

J. Chem. Inf. Model., 2025

2024

QM assisted ML for ¹⁹F NMR chemical shift prediction.

Patrick Penner, Anna Vulpetti

J. Comput. Aided Mol. Des., December, 2024

2022

Shape-based methods for Structure-based Fragment Growing

Patrick Penner

PhD thesis, 2022

Proteins<i>Plus</i>: a comprehensive collection of web-based molecular modeling tools.

Katrin Schöning-Stierand, Konrad Diedrich, Christiane Ehrt, Florian Flachsenberg, Joel Graef, Jochen Sieg, Patrick Penner, Martin Poppinga, Annett Ungethüm, Matthias Rarey

Nucleic Acids Res., 2022

The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare.

Patrick Penner, Wolfgang Guba, Robert Schmidt, Agnes Meyder, Martin Stahl, Matthias Rarey

J. Chem. Inf. Model., 2022

Comparison of Combinatorial Fragment Spaces and Its Application to Ultralarge Make-on-Demand Compound Catalogs.

Louis Bellmann, Patrick Penner, Marcus Gastreich, Matthias Rarey

J. Chem. Inf. Model., 2022

FastGrow: on-the-fly growing and its application to DYRK1A.

Patrick Penner, Virginie Y. Martiny, Louis Bellmann, Florian Flachsenberg, Marcus Gastreich, Isabelle Theret, Christophe Meyer, Matthias Rarey

J. Comput. Aided Mol. Des., 2022

2021

Topological Similarity Search in Large Combinatorial Fragment Spaces.

Louis Bellmann, Patrick Penner, Matthias Rarey

J. Chem. Inf. Model., 2021

2020

Shape-Based Descriptors for Efficient Structure-Based Fragment Growing.

Patrick Penner, Virginie Y. Martiny, Arnaud Gohier, Marcus Gastreich, Pierre Ducrot, David Brown, Matthias Rarey

J. Chem. Inf. Model., 2020

A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses.

Florian Flachsenberg, Agnes Meyder, Kai Sommer, Patrick Penner, Matthias Rarey

J. Chem. Inf. Model., 2020

2019

Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph Enumeration.

Louis Bellmann, Patrick Penner, Matthias Rarey

J. Chem. Inf. Model., 2019