Silvana Pinheiro

Structural and energetic study of cation–π–cation interactions in proteins

Silvana Pinheiro, Ignacio Soteras, Josep Lluís Gelpí et al. · Physical Chemistry Chemical Physics · 2017 · 27 citations

Engineering, Protein Assembly, Molecular Biology +16

Structural, energetic and lipophilic analysis of SARS-CoV-2 non-structural protein 9 (NSP9)

Jéssica de Oliveira Araújo, Silvana Pinheiro, William J. Zamora et al. · Scientific Reports · 2021 · 23 citations · Full text

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 et al. · Journal of Computer-Aided Molecular Design · 2021 · 22 citations · Full text

Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations

William J. Zamora, Silvana Pinheiro, Kilian German et al. · Journal of Computer-Aided Molecular Design · 2019 · 16 citations

Engineering, N-octanol/water Partition Coefficients, Physical Chemistry +3

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 et al. · Physical Chemistry Chemical Physics · 2023 · 16 citations