Patrick Penner

Novartis Institutes for BioMedical Research Inc

Switzerland

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Articles (8)

Year:

2024

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Year:

2021

Year:

2020

Year:

2020

Collaborators (2)

Matthias Rarey

Universität Hamburg

GERMANY

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Christophe Meyer

Head of Molecular Modeling and Chemoinformatics

Institut de recherches Servier

FRANCE

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Patrick Penner

Research Interests

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Articles (8)

QM assisted ML for 19F NMR chemical shift prediction

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

ProteinsPlus: a comprehensive collection of web-based molecular modeling tools

The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare

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

Topological Similarity Search in Large Combinatorial Fragment Spaces

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

Shape-Based Descriptors for Efficient Structure-Based Fragment Growing

Collaborators (2)

Matthias Rarey

Christophe Meyer

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