Patrick Penner

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 9

Top Topics

Subgraph Isomorphism

Protein Protein

Metric Access Methods

Indexing Structure

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Nucleic Acids Res.

Publications

Patrick Penner, Anna Vulpetti
F NMR chemical shift prediction. J. Comput. Aided Mol. Des. 38 (1) (2024)
Patrick Penner, Virginie Y. Martiny, Louis Bellmann, Florian Flachsenberg, Marcus Gastreich, Isabelle Theret, Christophe Meyer, Matthias Rarey
FastGrow: on-the-fly growing and its application to DYRK1A. J. Comput. Aided Mol. Des. 36 (9) (2022)
Louis Bellmann, Patrick Penner, Marcus Gastreich, Matthias Rarey
Comparison of Combinatorial Fragment Spaces and Its Application to Ultralarge Make-on-Demand Compound Catalogs. J. Chem. Inf. Model. 62 (3) (2022)
Katrin Schöning-Stierand, Konrad Diedrich, Christiane Ehrt, Florian Flachsenberg, Joel Graef, Jochen Sieg, Patrick Penner, Martin Poppinga, Annett Ungethüm, Matthias Rarey
: a comprehensive collection of web-based molecular modeling tools. Nucleic Acids Res. 50 (W1) (2022)
Patrick Penner, Wolfgang Guba, Robert Schmidt, Agnes Meyder, Martin Stahl, Matthias Rarey
The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare. J. Chem. Inf. Model. 62 (7) (2022)
Louis Bellmann, Patrick Penner, Matthias Rarey
Topological Similarity Search in Large Combinatorial Fragment Spaces. J. Chem. Inf. Model. 61 (1) (2021)
Patrick Penner, Virginie Y. Martiny, Arnaud Gohier, Marcus Gastreich, Pierre Ducrot, David Brown, Matthias Rarey
Shape-Based Descriptors for Efficient Structure-Based Fragment Growing. J. Chem. Inf. Model. 60 (12) (2020)
Florian Flachsenberg, Agnes Meyder, Kai Sommer, Patrick Penner, Matthias Rarey
A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses. J. Chem. Inf. Model. 60 (12) (2020)
Louis Bellmann, Patrick Penner, Matthias Rarey
Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph Enumeration. J. Chem. Inf. Model. 59 (11) (2019)