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5 results in Authors: William J. Zamora Ramírez

Physical Chemistry

Prediction of Toluene/Water Partition Coefficient in the SAMPL9 Blind Challenge: Assessment of Machine Learning and IEF-PCM/MST Continuum Solvation Models

William J. Zamora Ramírez, Antonio Viayna, Silvana Pinheiro, Carles Curutchet, Laia Bisbal, Rebeca Ruiz, Clara Ràfols, F. Javier Luque

Version 1 posted 30 March 2023

314

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Biological and Medicinal Chemistry

Finding for New Drugs in Nature for Neglected Tropical Diseases: In Silico Study of Homolycorine Alkaloids against Chagas Disease

Daniel Mora, Frederick Schosinsky, Josue Castellón, Kevin González, Jaume Bastida, Silvana Pinheiro, William J. Zamora Ramírez

Version 1 posted 31 October 2023

148

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Biological and Medicinal Chemistry

Critical Assessment of pH-Dependent Lipophilic Profiles of Small Molecules for Drug Design: Which One Should We Use and In Which Cases?

Esteban Bertsch Aguilar, Sebastián Suñer Sánchez, Silvana Pinheiro, William J. Zamora Ramírez

Version 3 posted 17 July 2023

549

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Biological and Medicinal Chemistry

LiProS: FAIR simulation workflow to Predict Accurate Lipophilicity Profiles for Small Molecules

Esteban Bertsch-Aguilar, Antonio Piedra, Daniel Acuña, Sebastian Suñer, Sylvana Pinheiro, William J. Zamora Ramírez

Version 2 posted 17 October 2024

112

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Theoretical and Computational Chemistry

From Canonical to Unique: Extension of A Lipophilicity Scale of Amino Acids to Non-Standard Residues

Antonio Viayna, Paulina Matamoros, David Blázquez-Ruano, William J. Zamora Ramírez

Version 1 posted 31 January 2024

215

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