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Ratkova, Ekaterina L.
23  results:
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1

Blinded Predictions and Post Hoc Analysis of the Second Sol..:

Conn, Jonathan G. M. ; Carter, James W. ; Conn, Justin J. A....
Journal of Chemical Information and Modeling.  63 (2023)  4 - p. 1099-1113 , 2023
Link: https://doi.org/10.1021/..
 
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2

Steering New Drug Discovery Campaigns: Permeability, Solubi..:

Caron, Giulia ; Kihlberg, Jan ; Goetz, Gilles...
ACS Medicinal Chemistry Letters.  12 (2021)  1 - p. 13-23 , 2021
Link: https://doi.org/10.1021/..
 
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3

Water envelope has a critical impact on the design of prote..:

Ratkova, Ekaterina L. ; Dawidowski, Maciej ; Napolitano, Valeria...
Chemical Communications.  56 (2020)  31 - p. 4360-4363 , 2020
Link: https://doi.org/10.1039/..
 
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4

Membrane Permeability in Cyclic Peptides is Modulated by Co..:

Cipcigan, Flaviu ; Smith, Paul ; Crain, Jason...
Journal of Chemical Information and Modeling.  61 (2020)  1 - p. 263-269 , 2020
Link: https://doi.org/10.1021/..
 
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5

Multisolvent Models for Solvation Free Energy Predictions U..:

Subramanian, Vigneshwari ; Ratkova, Ekaterina ; Palmer, David...
Journal of Chemical Information and Modeling.  60 (2020)  6 - p. 2977-2988 , 2020
Link: https://doi.org/10.1021/..
 
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6

Solvation Thermodynamics of Organic Molecules by the Molecu..:

Ratkova, Ekaterina L. ; Palmer, David S. ; Fedorov, Maxim V.
Chemical Reviews.  115 (2015)  13 - p. 6312-6356 , 2015
Link: https://doi.org/10.1021/..
 
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7

Computational prediction of thermodynamic properties of org..:

Ratkova, Ekaterina L. , 2011
Link: http://nbn-resolving.de/..
 
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8

On a relationship between molecular polarizability and part..:

Ratkova, Ekaterina L. ; Fedorov, Maxim V.
The Journal of Chemical Physics.  135 (2011)  24 - p. , 2011
Link: https://doi.org/10.1063/..
 
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9

Hydration Thermodynamics Using the Reference Interaction Si..:

Frolov, Andrey I. ; Ratkova, Ekaterina L. ; Palmer, David S..
The Journal of Physical Chemistry B.  115 (2011)  19 - p. 6011-6022 , 2011
Link: https://doi.org/10.1021/..
 
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10

Toward a Universal Model To Calculate the Solvation Thermod..:

Palmer, David S. ; Frolov, Andrey I. ; Ratkova, Ekaterina L..
Molecular Pharmaceutics.  8 (2011)  4 - p. 1423-1429 , 2011
Link: https://doi.org/10.1021/..
 
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11

Combination of RISM and Cheminformatics for Efficient Predi..:

Ratkova, Ekaterina L. ; Fedorov, Maxim V.
Journal of Chemical Theory and Computation.  7 (2011)  5 - p. 1450-1457 , 2011
Link: https://doi.org/10.1021/..
 
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12

An Accurate Prediction of Hydration Free Energies by Combin..:

Ratkova, Ekaterina L. ; Chuev, Gennady N. ; Sergiievskyi, Volodymyr P..
The Journal of Physical Chemistry B.  114 (2010)  37 - p. 12068-12079 , 2010
Link: https://doi.org/10.1021/..
 
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13

Towards a universal method for calculating hydration free e..:

Palmer, David S ; Frolov, Andrey I ; Ratkova, Ekaterina L.
Journal of Physics: Condensed Matter.  22 (2010)  49 - p. 492101 , 2010
Link: https://doi.org/10.1088/..
 
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14

Blinded Predictions and Post Hoc Analysis of the Second Sol..:

Conn, Jonathan G. M ; Carter, James W ; Conn, Justin J. A...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9976279/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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15

Blinded predictions and post-hoc analysis of the second sol..:

Conn, Jonathan G. M ; Carter, James W ; Conn, Justin J. A...
https://strathprints.strath.ac.uk/83974/7/Conn_etal_JCIM_2023_Blinded_predictions_and_post_hoc_analysis_of_the_second_solubility_challenge_data.pdf.  , 2023
Link: https://strathprints.str..
 
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