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Journal of Computer-Aided Molecular Design
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April 13, 2010
Blind prediction test of free energies of hydration with COSMO-RS
Andreas Klamt, Michael Diedenhofen
The Journal of Physical Chemistry. A
|
January 31, 2015
Calculation of solvation free energies with DCOSMO-RS
Andreas Klamt, Michael Diedenhofen
Journal of Computational Chemistry
|
May 15, 2018
A refined cavity construction algorithm for the conductor-like screening model
Andreas Klamt, Michael Diedenhofen
Journal of Computer-Aided Molecular Design
|
April 9, 2010
Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge
Andreas Klamt, Michael Diedenhofen
The Journal of Physical Chemistry. B
|
March 12, 2009
Prediction of the free energy of hydration of a challenging set of pesticide-like compounds
Andreas Klamt, Frank Eckert, Michael Diedenhofen
Environmental Toxicology and Chemistry
|
December 5, 2002
Prediction of soil sorption coefficients with a conductor-like screening model for real solvents
Andreas Klamt, Frank Eckert, Michael Diedenhofen
Journal of Computer-Aided Molecular Design
|
May 15, 2012
Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set
Jens Reinisch, Andreas Klamt, Michael Diedenhofen
Journal of Computer-Aided Molecular Design
|
June 26, 2023
COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challenge
Michael Diedenhofen, Frank Eckert, Selman Terzi
Journal of Computational Chemistry
|
January 27, 2012
thermocalc - a poor man's approach to computational thermochemistry
Arnim Hellweg, Michael Diedenhofen, Uwe Huniar
Journal of Chemical Information and Modeling
|
January 24, 2007
Prediction of blood-brain partitioning and human serum albumin binding based on COSMO-RS sigma-moments
Karin Wichmann, Michael Diedenhofen, Andreas Klamt
Page
of 4
Search research articles
Search
Showing results (1-10 of 36) with videos related to
Sort By:
Page
of 4
Journal of Computer-Aided Molecular Design
|
April 13, 2010
Blind prediction test of free energies of hydration with COSMO-RS
Andreas Klamt, Michael Diedenhofen
The Journal of Physical Chemistry. A
|
January 31, 2015
Calculation of solvation free energies with DCOSMO-RS
Andreas Klamt, Michael Diedenhofen
Journal of Computational Chemistry
|
May 15, 2018
A refined cavity construction algorithm for the conductor-like screening model
Andreas Klamt, Michael Diedenhofen
Journal of Computer-Aided Molecular Design
|
April 9, 2010
Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge
Andreas Klamt, Michael Diedenhofen
The Journal of Physical Chemistry. B
|
March 12, 2009
Prediction of the free energy of hydration of a challenging set of pesticide-like compounds
Andreas Klamt, Frank Eckert, Michael Diedenhofen
Environmental Toxicology and Chemistry
|
December 5, 2002
Prediction of soil sorption coefficients with a conductor-like screening model for real solvents
Andreas Klamt, Frank Eckert, Michael Diedenhofen
Journal of Computer-Aided Molecular Design
|
May 15, 2012
Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set
Jens Reinisch, Andreas Klamt, Michael Diedenhofen
Journal of Computer-Aided Molecular Design
|
June 26, 2023
COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challenge
Michael Diedenhofen, Frank Eckert, Selman Terzi
Journal of Computational Chemistry
|
January 27, 2012
thermocalc - a poor man's approach to computational thermochemistry
Arnim Hellweg, Michael Diedenhofen, Uwe Huniar
Journal of Chemical Information and Modeling
|
January 24, 2007
Prediction of blood-brain partitioning and human serum albumin binding based on COSMO-RS sigma-moments
Karin Wichmann, Michael Diedenhofen, Andreas Klamt
Page
of 4