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Michael Diedenhofen
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2020 – today
- 2023
- [j12]Michael Diedenhofen
, Frank Eckert
COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challenge. J. Comput. Aided Mol. Des. 37(8): 395-405 (2023)
2010 – 2019
- 2019
- [j11]Niklas Pallast, Michael Diedenhofen, Stefan Blaschke, Frederique Wieters, Dirk Wiedermann, Mathias Hoehn, Gereon R. Fink
Processing Pipeline for Atlas-Based Imaging Data Analysis of Structural and Functional Mouse Brain MRI (AIDAmri). Frontiers Neuroinformatics 13: 42 (2019) - [j10]Jens Reinisch, Michael Diedenhofen
Benchmarking Different QM Levels for Usage with COSMO-RS. J. Chem. Inf. Model. 59(11): 4806-4813 (2019) - 2018
- [j9]Andreas Klamt, Michael Diedenhofen
A refined cavity construction algorithm for the conductor-like screening model. J. Comput. Chem. 39(21): 1648-1655 (2018) - 2014
- [j8]Luam Mengler, Artem Khmelinskii
Brain maturation of the adolescent rat cortex and striatum: Changes in volume and myelination. NeuroImage 84: 35-44 (2014) - 2012
- [j7]Jens Reinisch, Andreas Klamt
Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set. J. Comput. Aided Mol. Des. 26(5): 669-673 (2012) - [j6]Arnim Hellweg
thermocalc - A poor man's approach to computational thermochemistry. J. Comput. Chem. 33(8): 881-886 (2012) - 2010
- [j5]Andreas Klamt
Blind prediction test of free energies of hydration with COSMO-RS. J. Comput. Aided Mol. Des. 24(4): 357-360 (2010) - [j4]Andreas Klamt
Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge. J. Comput. Aided Mol. Des. 24(6-7): 621-625 (2010)
2000 – 2009
- 2009
- [j3]Frank Eckert, Ivo Leito
Prediction of acidity in acetonitrile solution with COSMO-RS. J. Comput. Chem. 30(5): 799-810 (2009) - 2007
- [j2]Karin Wichmann, Michael Diedenhofen, Andreas Klamt
Prediction of Blood-Βrain Partitioning and Human Serum Albumin Binding Based on COSMO-RS σ-Moments. J. Chem. Inf. Model. 47(1): 228-233 (2007) - 2005
- [j1]Ron Jones, Paul C. Connolly, Andreas Klamt
Use of Surface Charges from DFT Calculations To Predict Intestinal Absorption. J. Chem. Inf. Model. 45(5): 1337-1342 (2005)
Coauthor Index
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