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Ekaterina L Ratkova

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The Journal of Chemical Physics|January 10, 2012
On a relationship between molecular polarizability and partial molar volume in waterEkaterina L Ratkova, Maxim V Fedorov
Journal of Chemical Theory and Computation|November 27, 2015
Combination of RISM and Cheminformatics for Efficient Predictions of Hydration Free Energy of Polyfragment Molecules: Application to a Set of Organic PollutantsEkaterina L Ratkova, Maxim V Fedorov
Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 17, 2011
Towards a universal method for calculating hydration free energies: a 3D reference interaction site model with partial molar volume correctionDavid S Palmer, Andrey I Frolov, Ekaterina L Ratkova, et al.
Molecular Pharmaceutics|May 31, 2011
Toward a universal model to calculate the solvation thermodynamics of druglike molecules: the importance of new experimental databasesDavid S Palmer, Andrey I Frolov, Ekaterina L Ratkova, et al.
The Journal of Physical Chemistry. B|April 15, 2011
Hydration thermodynamics using the reference interaction site model: speed or accuracy?Andrey I Frolov, Ekaterina L Ratkova, David S Palmer, et al.
Current Pharmaceutical Design|May 31, 2011
In silico screening of bioactive and biomimetic solutes using Integral Equation TheoryDavid S Palmer, Gennady N Chuev, Ekaterina L Ratkova, et al.
The Journal of Physical Chemistry. B|September 1, 2010
An accurate prediction of hydration free energies by combination of molecular integral equations theory with structural descriptorsEkaterina L Ratkova, Gennady N Chuev, Volodymyr P Sergiievskyi, et al.
Chemical Communications (Cambridge, England)|March 21, 2020
Water envelope has a critical impact on the design of protein-protein interaction inhibitorsEkaterina L Ratkova, Maciej Dawidowski, Valeria Napolitano, et al.
Journal of Chemical Information and Modeling|February 9, 2023
Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning ModelsJonathan G M Conn, James W Carter, Justin J A Conn, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|January 10, 2012
On a relationship between molecular polarizability and partial molar volume in waterEkaterina L Ratkova, Maxim V Fedorov
Journal of Chemical Theory and Computation|November 27, 2015
Combination of RISM and Cheminformatics for Efficient Predictions of Hydration Free Energy of Polyfragment Molecules: Application to a Set of Organic PollutantsEkaterina L Ratkova, Maxim V Fedorov
Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 17, 2011
Towards a universal method for calculating hydration free energies: a 3D reference interaction site model with partial molar volume correctionDavid S Palmer, Andrey I Frolov, Ekaterina L Ratkova, et al.
Molecular Pharmaceutics|May 31, 2011
Toward a universal model to calculate the solvation thermodynamics of druglike molecules: the importance of new experimental databasesDavid S Palmer, Andrey I Frolov, Ekaterina L Ratkova, et al.
The Journal of Physical Chemistry. B|April 15, 2011
Hydration thermodynamics using the reference interaction site model: speed or accuracy?Andrey I Frolov, Ekaterina L Ratkova, David S Palmer, et al.
Current Pharmaceutical Design|May 31, 2011
In silico screening of bioactive and biomimetic solutes using Integral Equation TheoryDavid S Palmer, Gennady N Chuev, Ekaterina L Ratkova, et al.
The Journal of Physical Chemistry. B|September 1, 2010
An accurate prediction of hydration free energies by combination of molecular integral equations theory with structural descriptorsEkaterina L Ratkova, Gennady N Chuev, Volodymyr P Sergiievskyi, et al.
Chemical Communications (Cambridge, England)|March 21, 2020
Water envelope has a critical impact on the design of protein-protein interaction inhibitorsEkaterina L Ratkova, Maciej Dawidowski, Valeria Napolitano, et al.
Journal of Chemical Information and Modeling|February 9, 2023
Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning ModelsJonathan G M Conn, James W Carter, Justin J A Conn, et al.
Pageof 1