Stephane Rodde

6PUBLICATIONS
11CO-AUTHORS
Molecular targetsTheory and design of materialsProteins and peptidesComputational chemistryBasic pharmacology
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Publications (6)

|Nov 22, 2024
Identification of TAK-756, A Potent TAK1 Inhibitor for the Treatment of Osteoarthritis through Intra-Articular Administration.

Jean-Baptiste Langlois, Silke Brenneisen, Stephane Rodde

|May 15, 2024
Nonclassical Zwitterions as a Design Principle to Reduce Lipophilicity without Impacting Permeability.

Henrik Möbitz, Birger Dittrich, Stephane Rodde

|Feb 10, 2023
Lessons for Oral Bioavailability: How Conformationally Flexible Cyclic Peptides Enter and Cross Lipid Membranes.

Stephanie M Linker, Christian Schellhaas, Anna S Kamenik

|Aug 18, 2021
Effect of Flexibility, Lipophilicity, and the Location of Polar Residues on the Passive Membrane Permeability of a Series of Cyclic Decapeptides.

Shuzhe Wang, Gerhard König, Hans-Jörg Roth

|Aug 18, 2020
ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules.

Anikó Udvarhelyi, Stephane Rodde, Rainer Wilcken

|Oct 25, 2019
Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines.

Yipin Lu, Shankara Anand, William Shirley

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Frequent Collaborators

2 joint publications

Sereina Riniker

1 joint publications

Yipin Lu

1 joint publications

Peter Gedeck

1 joint publications

Mika Lindvall