Silvana Pinheiro

5PUBLICATIONS
12CO-AUTHORS
Computational chemistryCheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designCellular nervous systemMathematical aspects of classical mechanics, quantum mechanics and quantum information theory
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Publications (5)

|Dec 04, 2023
Critical Assessment of pH-Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?

Esteban Bertsch, Sebastián Suñer, Silvana Pinheiro

|Oct 03, 2023
Critical Assessment of pH-Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?

Esteban Bertsch, Sebastián Suñer, Silvana Pinheiro

|Jun 28, 2023
Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models.

William J Zamora, Antonio Viayna, Silvana Pinheiro

|Nov 27, 2021
Structural, energetic and lipophilic analysis of SARS-CoV-2 non-structural protein 9 (NSP9).

Jéssica de O Araújo, Silvana Pinheiro, William J Zamora

|Jul 10, 2021
Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model.

Antonio Viayna, Silvana Pinheiro, Carles Curutchet

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Frequent Collaborators

5 joint publications

William J Zamora

2 joint publications

Antonio Viayna

2 joint publications

Carles Curutchet

2 joint publications

F Javier Luque