New developments on the cheminformatics open workflow environment CDK-Taverna. - Andreas Truszkowski; Kalai Vanii Jayaseelan; Stefan Neumann 001; Egon L. Willighagen; Achim Zielesny; Christoph Steinbeck (J. Cheminformatics, 2011)

CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution. - Andreas Truszkowski; Stefan Neumann 001; Achim Zielesny; Egon L. Willighagen; Christoph Steinbeck (J. Cheminformatics, 2011)

Natural product-likeness score revisited: an open-source, open-data implementation. - Kalai Vanii; Pablo A. Moreno; Andreas Truszkowski; Peter Ertl; Christoph Steinbeck (BMC Bioinform., 2012)

Molecular simulations of peptides and proteins with Molecular Fragment Dynamics (MFD). - Andreas Truszkowski; Annamaria Fiethen; Hubert Kuhn; Achim Zielesny; Matthias Epple (J. Cheminformatics, 2013)

A molecular fragment cheminformatics roadmap for mesoscopic simulation. - Andreas Truszkowski; Mirco Daniel; Hubert Kuhn; Stefan Neumann 001; Christoph Steinbeck; Achim Zielesny; Matthias Epple (J. Cheminformatics, 2014)

Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants. - Andreas Truszkowski; Annamaria Fiethen; Hubert Kuhn; Thomas Wiebringhaus; Achim Zielesny; Matthias Epple (J. Cheminformatics, 2014)

Mesoscopic Simulation of Phospholipid Membranes, Peptides, and Proteins with Molecular Fragment Dynamics. - Andreas Truszkowski; Karina van den Broek; Hubert Kuhn; Achim Zielesny; Matthias Epple (J. Chem. Inf. Model., 2015)

MFsim - an open Java all-in-one rich-client simulation environment for mesoscopic simulation. - Karina van den Broek; Mirco Daniel; Matthias Epple; Jan-Mathis Hein; Hubert Kuhn; Stefan Neumann 001; Andreas Truszkowski; Achim Zielesny (J. Cheminformatics, 2020)