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| Issue Date | Title | Author(s) |
|---|---|---|
| 10-Jul-2021 | Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model | Viayna Gaza, Antonio; Pinheiro, Silvana de Souza; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier; Zamora Ramírez, William J. |
| 12-Jun-2023 | Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models | Zamora Ramírez, William J.; Viayna Gaza, Antonio; Pinheiro, Silvana de Souza; Curutchet Barat, Carles E.; Bisbal, Laia; Ruiz, Rebeca; Ràfols Llach, Clara; Luque Garriga, F. Xavier |
| 27-Nov-2019 | Prediction of the n‑octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations | Zamora Ramírez, William J.; Pinheiro, Silvana de Souza; German, Kilian; Ràfols Llach, Clara; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier |
| 25-Feb-2019 | Lipophilicity in drug design: an overview of lipophilicity descriptors in 3D-QSAR studies | Ginex, Tiziana; Vázquez, Javier; Gibert, Enric; Herrero, Enric; Luque Garriga, F. Xavier |
| 11-Jan-2025 | Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO-MST Continuum Solvation Model | Cunha, Renato D.; Romero-Téllez, S.; Lipparini, Filippo; Luque Garriga, F. Xavier; Curutchet Barat, Carles E. |
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