Achim Zielesny
Orcid: 0000-0003-0722-4229
According to our database1,
Achim Zielesny
authored at least 32 papers
between 2003 and 2024.
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Bibliography
2024
Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture.
J. Cheminformatics, December, 2024
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package.
J. Cheminformatics, December, 2024
2023
Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C<sub>10</sub>E<sub>4</sub>/water mixture with lamellar bilayer formation.
J. Cheminformatics, December, 2023
J. Cheminformatics, 2023
2022
Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK).
J. Cheminformatics, 2022
2021
Quantitative Estimation of Cyclotide-Induced Bilayer Membrane Disruption by Lipid Extraction with Mesoscopic Simulation.
J. Chem. Inf. Model., 2021
J. Cheminformatics, 2021
J. Cheminformatics, 2021
Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations.
J. Cheminformatics, 2021
DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature.
J. Cheminformatics, 2021
2020
J. Cheminformatics, 2020
J. Cheminformatics, 2020
MFsim - an open Java all-in-one rich-client simulation environment for mesoscopic simulation.
J. Cheminformatics, 2020
2019
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK).
J. Cheminformatics, 2019
2018
Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics.
J. Cheminformatics, 2018
SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation.
J. Cheminformatics, 2018
2016
From Curve Fitting to Machine Learning - An Illustrative Guide to Scientific Data Analysis and Computational Intelligence, Second Edition
Intelligent Systems Reference Library 109, Springer, ISBN: 978-3-319-32545-3, 2016
2015
Mesoscopic Simulation of Phospholipid Membranes, Peptides, and Proteins with Molecular Fragment Dynamics.
J. Chem. Inf. Model., 2015
2014
Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants.
J. Cheminformatics, 2014
J. Cheminformatics, 2014
2013
Molecular simulations of peptides and proteins with Molecular Fragment Dynamics (MFD).
J. Cheminformatics, 2013
2012
Adsorption of amino acids on MFI-type zeolite: DFT calculations and experimental results.
J. Cheminformatics, 2012
2011
From Curve Fitting to Machine Learning - An Illustrative Guide to Scientific Data Analysis and Computational Intelligence
Intelligent Systems Reference Library 18, Springer, ISBN: 978-3-642-21279-6, 2011
J. Cheminformatics, 2011
J. Cheminformatics, 2011
2010
2005
2003
Proceedings of the 2nd IEEE Computer Society Bioinformatics Conference, 2003