Karin Wichmann

Publication Activity (10 Years)

Years Active: 2005-2021
Publications (10 Years): 2

Top Topics

Water Distribution

Protein Structure Alignment

Similarity Function

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

J. Comput. Chem.

J. Cheminformatics

Publications

Judith Warnau, Karin Wichmann, Jens Reinisch
COSMO-RS predictions of logP in the SAMPL7 blind challenge. J. Comput. Aided Mol. Des. 35 (7) (2021)
Andreas Klamt, Frank Eckert, Jens Reinisch, Karin Wichmann
Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set. J. Comput. Aided Mol. Des. 30 (11) (2016)
Paulius Mikulskis, Samuel Genheden, Karin Wichmann, Ulf Ryde
A semiempirical approach to ligand-binding affinities: Dependence on the Hamiltonian and corrections. J. Comput. Chem. 33 (12) (2012)
Andreas Klamt, Karin Wichmann, Michael Thormann
COSMOsim3D for drug-similarity, alignment, and molecular field analysis. J. Cheminformatics 4 (S-1) (2012)
Andreas Klamt, Michael Thormann, Karin Wichmann, Paolo Tosco
: Molecular Field Analysis Based on Local COSMO σ-Profiles. J. Chem. Inf. Model. 52 (8) (2012)
Michael Thormann, Andreas Klamt, Karin Wichmann
: 3D-Similarity and Alignment Based on COSMO Polarization Charge Densities. J. Chem. Inf. Model. 52 (8) (2012)
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) (2007)
Andreas Bender, Andreas Klamt, Karin Wichmann, Michael Thormann, Robert C. Glen
Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP). CompLife (2005)