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Journal of Computer-Aided Molecular Design
|
July 12, 2021
Multiple linear regression models for predicting the n‑octanol/water partition coefficients in the SAMPL7 blind challenge
Kenneth Lopez, Silvana Pinheiro, William J Zamora
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences
|
November 12, 2021
Molecular characteristics of several drugs evaluated from solvent/water partition measurements: Solvation parameters and intramolecular hydrogen bond indicator
Rebeca Ruiz, William J Zamora, Clara Ràfols, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 4, 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, et al.
The Journal of Physical Chemistry Letters
|
February 12, 2019
Development of a Structure-Based, pH-Dependent Lipophilicity Scale of Amino Acids from Continuum Solvation Calculations
William J Zamora, Josep M Campanera, F Javier Luque
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 3, 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, et al.
The Journal of Physical Chemistry. B
|
September 29, 2017
Prediction of pH-Dependent Hydrophobic Profiles of Small Molecules from Miertus-Scrocco-Tomasi Continuum Solvation Calculations
William J Zamora, Carles Curutchet, Josep M Campanera, et al.
Journal of Computer-Aided Molecular Design
|
July 10, 2021
Prediction of n-octanol/water partition coefficients and acidity constants (pK<sub>a</sub>) in the SAMPL7 blind challenge with the IEFPCM-MST model
Antonio Viayna, Silvana Pinheiro, Carles Curutchet, et al.
Molecular Diversity
|
June 28, 2026
Candimine as a natural scaffold for targeting squalene synthetase in Trypanosoma cruzi: insights from computational studies
Antonio Viayna, Javier E Ortiz, Frederick Schosinsky, et al.
Antibiotics (Basel, Switzerland)
|
March 29, 2023
Antibiotic Resistance and Food Safety: Perspectives on New Technologies and Molecules for Microbial Control in the Food Industry
Jannette Wen Fang Wu-Wu, Carolina Guadamuz-Mayorga, Douglas Oviedo-Cerdas, et al.
Journal of Computer-Aided Molecular Design
|
November 29, 2019
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.
Page
of 3
Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Journal of Computer-Aided Molecular Design
|
July 12, 2021
Multiple linear regression models for predicting the n‑octanol/water partition coefficients in the SAMPL7 blind challenge
Kenneth Lopez, Silvana Pinheiro, William J Zamora
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences
|
November 12, 2021
Molecular characteristics of several drugs evaluated from solvent/water partition measurements: Solvation parameters and intramolecular hydrogen bond indicator
Rebeca Ruiz, William J Zamora, Clara Ràfols, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 4, 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, et al.
The Journal of Physical Chemistry Letters
|
February 12, 2019
Development of a Structure-Based, pH-Dependent Lipophilicity Scale of Amino Acids from Continuum Solvation Calculations
William J Zamora, Josep M Campanera, F Javier Luque
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 3, 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, et al.
The Journal of Physical Chemistry. B
|
September 29, 2017
Prediction of pH-Dependent Hydrophobic Profiles of Small Molecules from Miertus-Scrocco-Tomasi Continuum Solvation Calculations
William J Zamora, Carles Curutchet, Josep M Campanera, et al.
Journal of Computer-Aided Molecular Design
|
July 10, 2021
Prediction of n-octanol/water partition coefficients and acidity constants (pK<sub>a</sub>) in the SAMPL7 blind challenge with the IEFPCM-MST model
Antonio Viayna, Silvana Pinheiro, Carles Curutchet, et al.
Molecular Diversity
|
June 28, 2026
Candimine as a natural scaffold for targeting squalene synthetase in Trypanosoma cruzi: insights from computational studies
Antonio Viayna, Javier E Ortiz, Frederick Schosinsky, et al.
Antibiotics (Basel, Switzerland)
|
March 29, 2023
Antibiotic Resistance and Food Safety: Perspectives on New Technologies and Molecules for Microbial Control in the Food Industry
Jannette Wen Fang Wu-Wu, Carolina Guadamuz-Mayorga, Douglas Oviedo-Cerdas, et al.
Journal of Computer-Aided Molecular Design
|
November 29, 2019
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.
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of 3