Use of Surface Charges from DFT Calculations To Predict Intestinal Absorption. - Ron Jones; Paul C. Connolly; Andreas Klamt; Michael Diedenhofen (J. Chem. Inf. Model., 2005)

Prediction of Blood-Βrain Partitioning and Human Serum Albumin Binding Based on COSMO-RS σ-Moments. - Karin Wichmann; Michael Diedenhofen; Andreas Klamt (J. Chem. Inf. Model., 2007)

Prediction of acidity in acetonitrile solution with COSMO-RS. - Frank Eckert; Ivo Leito; Ivari Kaljurand; Agnes Kütt; Andreas Klamt; Michael Diedenhofen (J. Comput. Chem., 2009)

Blind prediction test of free energies of hydration with COSMO-RS. - Andreas Klamt; Michael Diedenhofen (J. Comput. Aided Mol. Des., 2010)

Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge. - Andreas Klamt; Michael Diedenhofen (J. Comput. Aided Mol. Des., 2010)

Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set. - Jens Reinisch; Andreas Klamt; Michael Diedenhofen (J. Comput. Aided Mol. Des., 2012)

thermocalc - A poor man's approach to computational thermochemistry. - Arnim Hellweg; Michael Diedenhofen; Uwe Huniar (J. Comput. Chem., 2012)

Brain maturation of the adolescent rat cortex and striatum: Changes in volume and myelination. - Luam Mengler; Artem Khmelinskii; Michael Diedenhofen; Chrystelle Po; Marius Staring; Boudewijn P. F. Lelieveldt; Mathias Hoehn (NeuroImage, 2014)

A refined cavity construction algorithm for the conductor-like screening model. - Andreas Klamt; Michael Diedenhofen (J. Comput. Chem., 2018)

Processing Pipeline for Atlas-Based Imaging Data Analysis of Structural and Functional Mouse Brain MRI (AIDAmri). - Niklas Pallast; Michael Diedenhofen; Stefan Blaschke; Frederique Wieters; Dirk Wiedermann; Mathias Hoehn; Gereon R. Fink; Markus Aswendt (Frontiers Neuroinformatics, 2019)

Benchmarking Different QM Levels for Usage with COSMO-RS. - Jens Reinisch; Michael Diedenhofen; Rainer Wilcken; Anikó Udvarhelyi; Andreas Glöß (J. Chem. Inf. Model., 2019)

COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challenge. - Michael Diedenhofen; Frank Eckert; Selman Terzi (J. Comput. Aided Mol. Des., 2023)