Michael Diedenhofen - researchr alias

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Viewing Publication 1 - 12 from 12

2023

COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challengeMichael Diedenhofen, Frank Eckert, Selman Terzi. jcamd, 37(8):395-405, August 2023. [doi]

2019

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. fini, 2019:42, 2019. [doi]

Benchmarking Different QM Levels for Usage with COSMO-RSJens Reinisch, Michael Diedenhofen, Rainer Wilcken, Anikó Udvarhelyi, Andreas Glöß. jcisd, 59(11):4806-4813, 2019. [doi]

2018

A refined cavity construction algorithm for the conductor-like screening modelAndreas Klamt, Michael Diedenhofen. jcc, 39(21):1648-1655, 2018. [doi]

2014

Brain maturation of the adolescent rat cortex and striatum: Changes in volume and myelinationLuam Mengler, Artem Khmelinskii, Michael Diedenhofen, Chrystelle Po, Marius Staring, Boudewijn P. F. Lelieveldt, Mathias Hoehn. neuroimage, 84:35-44, 2014. [doi]

2012

thermocalc - A poor man's approach to computational thermochemistryArnim Hellweg, Michael Diedenhofen, Uwe Huniar. jcc, 33(8):881-886, 2012. [doi]

Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data setJens Reinisch, Andreas Klamt, Michael Diedenhofen. jcamd, 26(5):669-673, 2012. [doi]

2010

Blind prediction test of free energies of hydration with COSMO-RSAndreas Klamt, Michael Diedenhofen. jcamd, 24(4):357-360, 2010. [doi]

Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challengeAndreas Klamt, Michael Diedenhofen. jcamd, 24(6-7):621-625, 2010. [doi]

2009

Prediction of acidity in acetonitrile solution with COSMO-RSFrank Eckert, Ivo Leito, Ivari Kaljurand, Agnes Kütt, Andreas Klamt, Michael Diedenhofen. jcc, 30(5):799-810, 2009. [doi]

2007

Prediction of Blood-Βrain Partitioning and Human Serum Albumin Binding Based on COSMO-RS σ-MomentsKarin Wichmann, Michael Diedenhofen, Andreas Klamt. jcisd, 47(1):228-233, 2007. [doi]

2005

Use of Surface Charges from DFT Calculations To Predict Intestinal AbsorptionRon Jones, Paul C. Connolly, Andreas Klamt, Michael Diedenhofen. jcisd, 45(5):1337-1342, 2005. [doi]

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