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2020 – today
- 2023
[j11]Sascha Jung, Helge Vatheuer
, Paul Czodrowski:
VSFlow: an open-source ligand-based virtual screening tool. J. Cheminformatics 15(1): 40 (2023)- 2021
- [j10]José-Manuel Gally, Axel Pahl, Paul Czodrowski, Herbert Waldmann:
Pseudonatural Products Occur Frequently in Biologically Relevant Compounds. J. Chem. Inf. Model. 61(11): 5458-5468 (2021) - 2020
- [j9]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:
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects. J. Chem. Inf. Model. 60(11): 5457-5474 (2020) - [i1]Marcel Baltruschat, Paul Czodrowski:
Machine learning meets pKa. F1000Research 9: 113 (2020)
2010 – 2019
- 2017
- [j8]Michael Schauperl, Paul Czodrowski, Julian E. Fuchs, Roland G. Huber, Birgit J. Waldner, Maren Podewitz, Christian Kramer, Klaus R. Liedl:
Binding Pose Flip Explained via Enthalpic and Entropic Contributions. J. Chem. Inf. Model. 57(2): 345-354 (2017) - 2016
- [j7]Paul Czodrowski, Wolf-Guido Bolick:
OCEAN: Optimized Cross rEActivity estimatioN. J. Chem. Inf. Model. 56(10): 2013-2023 (2016) - 2014
- [j6]Paul Czodrowski:
Count on kappa. J. Comput. Aided Mol. Des. 28(11): 1049-1055 (2014) - 2013
- [j5]Daria B. Kokh, Stefan Richter, Stefan Henrich, Paul Czodrowski, Friedrich Rippmann, Rebecca C. Wade:
TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins. J. Chem. Inf. Model. 53(5): 1235-1252 (2013) - [j4]Paul Czodrowski:
hERG Me Out. J. Chem. Inf. Model. 53(9): 2240-2251 (2013) - 2011
- [j3]Paul Czodrowski, Chresten R. Søndergaard, Sebastian Dohm, Gerhard Klebe, Jens Erik Nielsen:
LigpKa - a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations. J. Cheminformatics 3(S-1): 21 (2011)
2000 – 2009
- 2007
- [j2]Paul Czodrowski, Christoph A. Sotriffer, Gerhard Klebe:
Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational Study. J. Chem. Inf. Model. 47(4): 1590-1598 (2007) - [j1]Todd J. Dolinsky, Paul Czodrowski, Hui Li, Jens Erik Nielsen, Jan H. Jensen, Gerhard Klebe, Nathan A. Baker:
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations. Nucleic Acids Res. 35(Web-Server-Issue): 522-525 (2007)
Coauthor Index
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