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Andreas Klamt
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2020 – today
- 2020
- [j21]Christoph Loschen
, Jens Reinisch, Andreas Klamt:
COSMO-RS based predictions for the SAMPL6 logP challenge. J. Comput. Aided Mol. Des. 34(4): 385-392 (2020)
2010 – 2019
- 2018
- [j20]Andreas Klamt, Michael Diedenhofen
:
A refined cavity construction algorithm for the conductor-like screening model. J. Comput. Chem. 39(21): 1648-1655 (2018) - 2016
- [j19]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): 959-967 (2016) - 2014
- [j18]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): 169-173 (2014) - 2013
- [j17]Paolo Tosco, Andreas Klamt:
3D-QSAR reloaded: Open3DALIGN meets COSMOsar3D. J. Cheminformatics 5(S-1): 13 (2013) - 2012
- [j16]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): 669-673 (2012) - [j15]Andreas Klamt:
Solvent-screening and co-crystal screening for drug development with COSMO-RS. J. Cheminformatics 4(S-1): 14 (2012) - [j14]Andreas Klamt, Karin Wichmann, Michael Thormann:
COSMOsim3D for drug-similarity, alignment, and molecular field analysis. J. Cheminformatics 4(S-1): 18 (2012) - [j13]Michael Thormann, Andreas Klamt
, Karin Wichmann:
COSMOsim3D: 3D-Similarity and Alignment Based on COSMO Polarization Charge Densities. J. Chem. Inf. Model. 52(8): 2149-2156 (2012) - [j12]Andreas Klamt
, Michael Thormann, Karin Wichmann, Paolo Tosco
:
COSMOsar3D: Molecular Field Analysis Based on Local COSMO σ-Profiles. J. Chem. Inf. Model. 52(8): 2157-2164 (2012) - 2010
- [j11]Andreas Klamt
, Michael Diedenhofen:
Blind prediction test of free energies of hydration with COSMO-RS. J. Comput. Aided Mol. Des. 24(4): 357-360 (2010) - [j10]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): 621-625 (2010)
2000 – 2009
- 2009
- [j9]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): 799-810 (2009) - 2007
- [j8]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) - 2006
- [j7]Frank Eckert, Andreas Klamt
:
Accurate prediction of basicity in aqueous solution with COSMO-RS. J. Comput. Chem. 27(1): 11-19 (2006) - [j6]Michael Thormann, Andreas Klamt
, Martin Hornig, Michael Almstetter:
COSMOsim: Bioisosteric Similarity Based on COSMO-RS sigma Profiles. J. Chem. Inf. Model. 46(3): 1040-1053 (2006) - 2005
- [j5]Martin Hornig, Andreas Klamt
:
COSMOfrag: A Novel Tool for High-Throughput ADME Property Prediction and Similarity Screening Based on Quantum Chemistry. J. Chem. Inf. Model. 45(5): 1169-1177 (2005) - [j4]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): 1337-1342 (2005) - [c1]Andreas Bender, Andreas Klamt
, Karin Wichmann, Michael Thormann, Robert C. Glen:
Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP). CompLife 2005: 175-185 - 2002
- [j3]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): 275-281 (2002) - [j2]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): 1320-1331 (2002) - 2001
- [j1]Andreas Klamt
, Frank Eckert, Martin Hornig:
COSMO-RS: A novel view to physiological solvation and partition questions. J. Comput. Aided Mol. Des. 15(4): 355-365 (2001)
Coauthor Index
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