Paul Czodrowski

According to our database, Paul Czodrowski authored at least 12 papers between 2007 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

VSFlow: an open-source ligand-based virtual screening tool.

Sascha Jung, Helge Vatheuer, Paul Czodrowski

J. Cheminformatics, December, 2023

2021

Pseudonatural Products Occur Frequently in Biologically Relevant Compounds.

José-Manuel Gally, Axel Pahl, Paul Czodrowski, Herbert Waldmann

J. Chem. Inf. Model., 2021

2020

Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.

Christina E. M. Schindler, Hannah 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

J. Chem. Inf. Model., 2020

Machine learning meets pK_a.

Marcel Baltruschat, Paul Czodrowski

F1000Research, 2020

2017

Binding Pose Flip Explained via Enthalpic and Entropic Contributions.

Michael Schauperl, Paul Czodrowski, Julian E. Fuchs, Roland G. Huber, Birgit J. Waldner, Maren Podewitz, Christian Kramer, Klaus R. Liedl

J. Chem. Inf. Model., 2017

2016

OCEAN: Optimized Cross rEActivity estimatioN.

Paul Czodrowski, Wolf-Guido Bolick

J. Chem. Inf. Model., 2016

2014

Count on kappa.

Paul Czodrowski

J. Comput. Aided Mol. Des., 2014

2013

TRAPP: A Tool for Analysis of <i>Tra</i>nsient Binding <i>P</i>ockets in <i>P</i>roteins.

Daria B. Kokh, Stefan Richter, Stefan Henrich, Paul Czodrowski, Friedrich Rippmann, Rebecca C. Wade

J. Chem. Inf. Model., 2013

hERG Me Out.

Paul Czodrowski

J. Chem. Inf. Model., 2013

2011

LigpKa - a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations.

Paul Czodrowski, Chresten R. Søndergaard, Sebastian Dohm, Gerhard Klebe, Jens Erik Nielsen

J. Cheminformatics, 2011

2007

PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations.

Todd J. Dolinsky, Paul Czodrowski, Hui Li, Jens Erik Nielsen, Jan H. Jensen, Gerhard Klebe, Nathan A. Baker

Nucleic Acids Res., 2007

Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational Study.

Paul Czodrowski, Christoph A. Sotriffer, Gerhard Klebe

J. Chem. Inf. Model., 2007