Browsing by Author Pinheiro, Silvana de Souza
Showing results 1 to 6 of 6
| Issue Date | Title | Author(s) |
|---|---|---|
| 16-Mar-2017 | Can Förster Theory Describe Stereoselective Energy Transfer Dynamics in a Protein-Ligand Complex? | Pinheiro, Silvana de Souza; Curutchet Barat, Carles E. |
| 25-May-2017 | Estudio del impacto de la polarización electrónica en interacciones biomoleculares | Pinheiro, Silvana de Souza |
| 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. |
| 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; Rafols Llach, Clara; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier |
| 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 |
| 21-Apr-2017 | Structural and energetic study of cation-p-cation interactions in proteins | Pinheiro, Silvana de Souza; Soteras, Ignacio; Gelpí Buchaca, Josep Lluís; Dehez, François; Chipot, Christophe; Luque Garriga, F. Xavier; Curutchet Barat, Carles E. |