Paul Czodrowski

13 papers Journal 13
YearRankTypeTitle / Venue / Authors
2026 J jnl
Natural Product-like Fragments Unlock Novel Chemotypes for a Kinase Target─Exploring Options beyond the Flatland.
J. Chem. Inf. Model.
Anna Santura, Janis Müller, Madita Wolter, Ina-Charlotte Tutzschky, Moritz Ruf, Alexander Metz, Anna Sandner, Stefan Merkl, Gerhard Klebe, Serghei Glinca, Paul Czodrowski
2023 J jnl
VSFlow: an open-source ligand-based virtual screening tool.
J. Cheminformatics
Sascha Jung, Helge Vatheuer, Paul Czodrowski
2021 J jnl
Pseudonatural Products Occur Frequently in Biologically Relevant Compounds.
J. Chem. Inf. Model.
José-Manuel Gally, Axel Pahl, Paul Czodrowski, Herbert Waldmann
2020 J jnl
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.
J. Chem. Inf. Model.
Christina E. M. Schindler, Hannah M. Baumann, Andreas Blum, Dietrich Böse, Hans-Peter Buchstaller, Lars Burgdorf, Daniel Cappel, Eugene Chekler, Paul Czodrowski, Dieter Dorsch, Merveille K. I. Eguida, Bruce Follows, Thomas Fuchß, Ulrich Grädler, Jakub Gunera, Theresa Johnson, Catherine Jorand Lebrun, Srinivasa Karra, Markus Klein, Tim Knehans, Lisa Koetzner, Mireille Krier, Matthias Leiendecker, Birgitta Leuthner, Liwei Li, Igor Mochalkin, Djordje Musil, Constantin Neagu, Friedrich Rippmann, Kai Schiemann, Robert Schulz, Thomas Steinbrecher, Eva-Maria Tanzer, Andrea Unzue Lopez, Ariele Viacava Follis, Ansgar Wegener, Daniel Kuhn
2020 J jnl
Machine learning meets pK
F1000Research
Marcel Baltruschat, Paul Czodrowski
2017 J jnl
Binding Pose Flip Explained via Enthalpic and Entropic Contributions.
J. Chem. Inf. Model.
Michael Schauperl, Paul Czodrowski, Julian E. Fuchs, Roland G. Huber, Birgit J. Waldner, Maren Podewitz, Christian Kramer, Klaus R. Liedl
2016 J jnl
OCEAN: Optimized Cross rEActivity estimatioN.
J. Chem. Inf. Model.
Paul Czodrowski, Wolf-Guido Bolick
2014 J jnl
Count on kappa.
J. Comput. Aided Mol. Des.
Paul Czodrowski
2013 J jnl
TRAPP: A Tool for Analysis of
J. Chem. Inf. Model.
Daria B. Kokh, Stefan Richter, Stefan Henrich, Paul Czodrowski, Friedrich Rippmann, Rebecca C. Wade
2013 J jnl
hERG Me Out.
J. Chem. Inf. Model.
Paul Czodrowski
2011 J jnl
LigpKa - a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations.
J. Cheminformatics
Paul Czodrowski, Chresten R. Søndergaard, Sebastian Dohm, Gerhard Klebe, Jens Erik Nielsen
2007 J jnl
Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational Study.
J. Chem. Inf. Model.
Paul Czodrowski, Christoph A. Sotriffer, Gerhard Klebe
2007 J jnl
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations.
Nucleic Acids Res.
Todd J. Dolinsky, Paul Czodrowski, Hui Li, Jens Erik Nielsen, Jan H. Jensen, Gerhard Klebe, Nathan A. Baker