Publications by authors named "Stephane Rodde"

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Identification of TAK-756, A Potent TAK1 Inhibitor for the Treatment of Osteoarthritis through Intra-Articular Administration.
Jean-Baptiste Langlois, Silke Brenneisen, Stephane Rodde, Eric Vangrevelinghe, Geoffroy Rose

J Med Chem· December 2024

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Nonclassical Zwitterions as a Design Principle to Reduce Lipophilicity without Impacting Permeability.
Henrik Möbitz, Birger Dittrich, Stephane Rodde, Ross Strang

J Med Chem· June 2024

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Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design.
Aaron D Danilack, Callum J Dickson, Cihan Soylu, Mike Fortunato, Stephane Rodde

J Comput Aided Mol Des· May 2024

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Quantitative and functional characterisation of extracellular vesicles after passive loading with hydrophobic or cholesterol-tagged small molecules.
Gwenola Tréton, Claudia Sayer, Melanie Schürz, Maria Jaritsch, Anna Müller, Stephane Rodde

J Control Release· September 2023

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Lessons for Oral Bioavailability: How Conformationally Flexible Cyclic Peptides Enter and Cross Lipid Membranes.
Stephanie M Linker, Christian Schellhaas, Anna S Kamenik, Mac M Veldhuizen, Franz Waibl, Stephane Rodde

J Med Chem· February 2023

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Integrated and automated high-throughput purification of libraries on microscale.
Carol Ginsburg-Moraff, Jonathan Grob, Karl Chin, Grant Eastman, Sandra Wildhaber, Stephane Rodde

SLAS Technol· December 2022

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Polar/apolar interfaces modulate the conformational behavior of cyclic peptides with impact on their passive membrane permeability.
Stephanie M Linker, Christian Schellhaas, Benjamin Ries, Hans-Jörg Roth, Marianne Fouché, Stephane Rodde

RSC Adv· February 2022

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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, Marianne Fouché, Stephane Rodde

J Med Chem· September 2021

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ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules.
Anikó Udvarhelyi, Stephane Rodde, Rainer Wilcken

J Comput Aided Mol Des· April 2021

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Prediction of p Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines.
Yipin Lu, Shankara Anand, William Shirley, Peter Gedeck, Brian P Kelley, Stephane Rodde

J Chem Inf Model· November 2019

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High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge.
Philipp Pracht, Rainer Wilcken, Anikó Udvarhelyi, Stephane Rodde, Stefan Grimme

J Comput Aided Mol Des· October 2018

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Developing Collaborative QSAR Models Without Sharing Structures.
Peter Gedeck, Suzanne Skolnik, Stephane Rodde

J Chem Inf Model· August 2017

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Benefit of Retraining pKa Models Studied Using Internally Measured Data.
Peter Gedeck, Yipin Lu, Suzanne Skolnik, Stephane Rodde, Gavin Dollinger

J Chem Inf Model· July 2015

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What is modulating solubility in simulated intestinal fluids?
Giorgio Ottaviani, Daniel J Gosling, Celine Patissier, Stephane Rodde, Liping Zhou

Eur J Pharm Sci· November 2010

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