Andreas Klamt

Publication Activity (10 Years)

Years Active: 2001-2020
Publications (10 Years): 3

Top Topics

Algorithm Has Been Developed

Water Distribution

Protein Structure Alignment

Similarity Metric

Top Venues

J. Comput. Aided Mol. Des.

J. Cheminformatics

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Christoph Loschen, Jens Reinisch, Andreas Klamt
COSMO-RS based predictions for the SAMPL6 logP challenge. J. Comput. Aided Mol. Des. 34 (4) (2020)
Andreas Klamt, Michael Diedenhofen
A refined cavity construction algorithm for the conductor-like screening model. J. Comput. Chem. 39 (21) (2018)
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)
Jens Reinisch, Andreas Klamt
Prediction of free energies of hydration with COSMO-RS on the SAMPL4 data set. J. Comput. Aided Mol. Des. 28 (3) (2014)
Paolo Tosco, Andreas Klamt
3D-QSAR reloaded: Open3DALIGN meets COSMOsar3D. J. Cheminformatics 5 (S-1) (2013)
Jens Reinisch, Andreas Klamt, Michael Diedenhofen
Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set. J. Comput. Aided Mol. Des. 26 (5) (2012)
Andreas Klamt, Karin Wichmann, Michael Thormann
COSMOsim3D for drug-similarity, alignment, and molecular field analysis. J. Cheminformatics 4 (S-1) (2012)
Andreas Klamt
Solvent-screening and co-crystal screening for drug development with COSMO-RS. 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)
Andreas Klamt, Michael Diedenhofen
Blind prediction test of free energies of hydration with COSMO-RS. J. Comput. Aided Mol. Des. 24 (4) (2010)
Andreas Klamt, Michael Diedenhofen
Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge. J. Comput. Aided Mol. Des. 24 (6-7) (2010)
Frank Eckert, Ivo Leito, Ivari Kaljurand, Agnes Kütt, Andreas Klamt, Michael Diedenhofen
Prediction of acidity in acetonitrile solution with COSMO-RS. J. Comput. Chem. 30 (5) (2009)
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)
Michael Thormann, Andreas Klamt, Martin Hornig, Michael Almstetter
: Bioisosteric Similarity Based on COSMO-RS sigma Profiles. J. Chem. Inf. Model. 46 (3) (2006)
Frank Eckert, Andreas Klamt
Accurate prediction of basicity in aqueous solution with COSMO-RS. J. Comput. Chem. 27 (1) (2006)
Ron Jones, Paul C. Connolly, Andreas Klamt, Michael Diedenhofen
Use of Surface Charges from DFT Calculations To Predict Intestinal Absorption. J. Chem. Inf. Model. 45 (5) (2005)
Martin Hornig, Andreas Klamt
: A Novel Tool for High-Throughput ADME Property Prediction and Similarity Screening Based on Quantum Chemistry. J. Chem. Inf. Model. 45 (5) (2005)
Andreas Bender, Andreas Klamt, Karin Wichmann, Michael Thormann, Robert C. Glen
Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP). CompLife (2005)
Andreas M. Zissimos, Michael H. Abraham, Andreas Klamt, Frank Eckert, John Wood
A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt. J. Chem. Inf. Comput. Sci. 42 (6) (2002)
Andreas Klamt, Frank Eckert, Martin Hornig, Michael E. Beck, Thorsten Bürger
Prediction of aqueous solubility of drugs and pesticides with COSMO-RS. J. Comput. Chem. 23 (2) (2002)
Andreas Klamt, Frank Eckert, Martin Hornig
COSMO-RS: A novel view to physiological solvation and partition questions. J. Comput. Aided Mol. Des. 15 (4) (2001)