Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP). - Andreas Bender 002; Andreas Klamt; Karin Wichmann; Michael Thormann; Robert C. Glen (CompLife, 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)

A semiempirical approach to ligand-binding affinities: Dependence on the Hamiltonian and corrections. - Paulius Mikulskis; Samuel Genheden; Karin Wichmann; Ulf Ryde (J. Comput. Chem., 2012)

COSMOsim3D for drug-similarity, alignment, and molecular field analysis. - Andreas Klamt; Karin Wichmann; Michael Thormann (J. Cheminformatics, 2012)

COSMOsar3D: Molecular Field Analysis Based on Local COSMO σ-Profiles. - Andreas Klamt; Michael Thormann; Karin Wichmann; Paolo Tosco (J. Chem. Inf. Model., 2012)

COSMOsim3D: 3D-Similarity and Alignment Based on COSMO Polarization Charge Densities. - Michael Thormann; Andreas Klamt; Karin Wichmann (J. Chem. Inf. Model., 2012)

Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set. - Andreas Klamt; Frank Eckert; Jens Reinisch; Karin Wichmann (J. Comput. Aided Mol. Des., 2016)

COSMO-RS predictions of logP in the SAMPL7 blind challenge. - Judith Warnau; Karin Wichmann; Jens Reinisch (J. Comput. Aided Mol. Des., 2021)