Karina van den Broek (Achim Zielesny)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 17

Top Topics

Molecular Docking

High Resolution

Top Venues

Journal of cheminformatics

Nature communications

Journal of chemical information and modeling

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

Publications

Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Karina van den Broek
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package. Journal of cheminformatics 16 (1) (2024)
Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Karina van den Broek
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package. Journal of cheminformatics 16 (1) (2024)
Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Karina van den Broek
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package. Journal of cheminformatics 16 (1) (2024)
Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Karina van den Broek
MORTAR: a rich client application for in silico molecule fragmentation. Journal of cheminformatics 15 (1) (2023)
Kohulan Rajan, Henning Otto Brinkhaus, M Isabel Agea, Karina van den Broek, Christoph Steinbeck
Author Correction: DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications. Nature communications 14 (1) (2023)
Kohulan Rajan, Henning Otto Brinkhaus, M Isabel Agea, Karina van den Broek, Christoph Steinbeck
DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications. Nature communications 14 (1) (2023)
Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Karina van den Broek
MORTAR: a rich client application for in silico molecule fragmentation. Journal of cheminformatics 15 (1) (2023)
Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Karina van den Broek
MORTAR: a rich client application for in silico molecule fragmentation. Journal of cheminformatics 15 (1) (2023)
Felix Bänsch, Christoph Steinbeck, Karina van den Broek
Notes on the Treatment of Charged Particles for Studying Cyclotide/Membrane Interactions with Dissipative Particle Dynamics. Membranes 12 (6) (2022)
Jonas Schaub, Julian Zander, Karina van den Broek, Christoph Steinbeck
Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK). Journal of cheminformatics 14 (1) (2022)
Karina van den Broek, Matthias Epple, Lisa Sophie Kersten, Hubert Kuhn, Karina van den Broek
Quantitative Estimation of Cyclotide-Induced Bilayer Membrane Disruption by Lipid Extraction with Mesoscopic Simulation. Journal of chemical information and modeling 61 (6) (2021)
Kohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, Karina van den Broek
Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations. Journal of cheminformatics 13 (1) (2021)
Jonas Schaub, Karina van den Broek, Christoph Steinbeck, Maria Sorokina
Too sweet: cheminformatics for deglycosylation in natural products. Journal of cheminformatics 12 (1) (2020)
Karina van den Broek, Mirco Daniel, Matthias Epple, Jan-Mathis Hein, Hubert Kuhn, Stefan Neumann, Andreas Truszkowski, Achim Zielesny
MFsim-an open Java all-in-one rich-client simulation environment for mesoscopic simulation. Journal of cheminformatics 12 (1) (2020)
Sebastian Fritsch, Stefan Neumann, Jonas Schaub, Christoph Steinbeck, Karina van den Broek
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK). Journal of cheminformatics 11 (1) (2019)
Karina van den Broek, Hubert Kuhn, Karina van den Broek
Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics. Journal of cheminformatics 10 (1) (2018)
Karina van den Broek, Mirco Daniel, Matthias Epple, Hubert Kuhn, Jonas Schaub, Karina van den Broek
SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation. Journal of cheminformatics 10 (1) (2018)