Achim Zielesny

Publication Activity (10 Years)

Years Active: 2003-2024
Publications (10 Years): 20

Top Topics

Fully Functional

Molecular Structure

Image Recognition

Physicochemical Properties

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Achim Zielesny
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package. J. Cheminformatics 16 (1) (2024)
Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck
Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture. J. Cheminformatics 16 (1) (2024)
Felix Bänsch, Christoph Steinbeck, Achim Zielesny
/water mixture with lamellar bilayer formation. J. Cheminformatics 15 (1) (2023)
Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Achim Zielesny
MORTAR: a rich client application for in silico molecule fragmentation. J. Cheminformatics 15 (1) (2023)
Henning Otto Brinkhaus, Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
RanDepict: Random chemical structure depiction generator. J. Cheminformatics 14 (1) (2022)
Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck, Kohulan Rajan
DECIMER - hand-drawn molecule images dataset. J. Cheminformatics 14 (1) (2022)
Jonas Schaub, Julian Zander, Achim Zielesny, Christoph Steinbeck
Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK). J. Cheminformatics 14 (1) (2022)
Karina van den Broek, Matthias Epple, Lisa Sophie Kersten, Hubert Kuhn, Achim Zielesny
Quantitative Estimation of Cyclotide-Induced Bilayer Membrane Disruption by Lipid Extraction with Mesoscopic Simulation. J. Chem. Inf. Model. 61 (6) (2021)
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
STOUT: SMILES to IUPAC names using neural machine translation. J. Cheminformatics 13 (1) (2021)
Kohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, Achim Zielesny
Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations. J. Cheminformatics 13 (1) (2021)
Kohulan Rajan, Henning Otto Brinkhaus, Maria Sorokina, Achim Zielesny, Christoph Steinbeck
DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature. J. Cheminformatics 13 (1) (2021)
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
DECIMER 1.0: deep learning for chemical image recognition using transformers. J. Cheminformatics 13 (1) (2021)
Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina
Too sweet: cheminformatics for deglycosylation in natural products. J. Cheminformatics 12 (1) (2020)
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
DECIMER: towards deep learning for chemical image recognition. J. 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. J. Cheminformatics 12 (1) (2020)
Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck
A review of optical chemical structure recognition tools. J. Cheminformatics 12 (1) (2020)
Sebastian Fritsch, Stefan Neumann, Jonas Schaub, Christoph Steinbeck, Achim Zielesny
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK). J. Cheminformatics 11 (1) (2019)
Karina van den Broek, Hubert Kuhn, Achim Zielesny
Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics. J. Cheminformatics 10 (1) (2018)
Karina van den Broek, Mirco Daniel, Matthias Epple, Hubert Kuhn, Jonas Schaub, Achim Zielesny
SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation. J. Cheminformatics 10 (1) (2018)
Andreas Truszkowski, Karina van den Broek, Hubert Kuhn, Achim Zielesny, Matthias Epple
Mesoscopic Simulation of Phospholipid Membranes, Peptides, and Proteins with Molecular Fragment Dynamics. J. Chem. Inf. Model. 55 (5) (2015)
Andreas Truszkowski, Mirco Daniel, Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Achim Zielesny, Matthias Epple
A molecular fragment cheminformatics roadmap for mesoscopic simulation. J. Cheminformatics 6 (1) (2014)
Andreas Truszkowski, Annamaria Fiethen, Hubert Kuhn, Thomas Wiebringhaus, Achim Zielesny, Matthias Epple
Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants. J. Cheminformatics 6 (S-1) (2014)
Andreas Truszkowski, Annamaria Fiethen, Hubert Kuhn, Achim Zielesny, Matthias Epple
Molecular simulations of peptides and proteins with Molecular Fragment Dynamics (MFD). J. Cheminformatics 5 (S-1) (2013)
Kai Stueckenschneider, Achim Zielesny, Gerhard Schembecker
Adsorption of amino acids on MFI-type zeolite: DFT calculations and experimental results. J. Cheminformatics 4 (S-1) (2012)
Andreas Truszkowski, Stefan Neumann, Achim Zielesny, Egon L. Willighagen, Christoph Steinbeck
CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution. J. Cheminformatics 3 (S-1) (2011)
Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck
New developments on the cheminformatics open workflow environment CDK-Taverna. J. Cheminformatics 3 (2011)
Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Carsten Wittekindt, Achim Zielesny
Molecular fragments chemoinformatics. J. Cheminformatics 2 (S-1) (2010)
Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck
CDK-Taverna: an open workflow environment for cheminformatics. BMC Bioinform. 11 (2010)
Achim Zielesny
Chemistry Software Package ChemOffice Ultra 2005. J. Chem. Inf. Model. 45 (5) (2005)
Sören W. Perrey, Heinrich Brinck, Achim Zielesny
Iterative Rank based Methods for Clustering. CSB (2003)