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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

154

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Biological and Medicinal Chemistry

Working Paper

Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB

Alejandro Gómez-García, Daniel A. Acuña Jiménez, William J. Zamora, Haruna L. Barazorda-Ccahuana, Miguel Á. Chávez-Fumagalli, Marilia Valli, Adriano D. Andricopulo, Vanderlan da S. Bolzani, Dionisio A. Olmedo, Pablo N. Solís, Marvin J. Núñez, Johny R. Rodríguez Pérez, Hoover A. Valencia Sánchez, Héctor F. Cortés Hernández, José L. Medina-Franco

Version 1 posted 24 August 2023

274

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Theoretical and Computational Chemistry

Working Paper

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

227

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Biological and Medicinal Chemistry

Working Paper

Profiling the natural product-likeness of Latin American compound libraries

Alejandro Gómez-García, Ann-Kathrin Prinz, Daniel A. Acuña Jiménez, William J. Zamora, Haruna L. Barazorda-Ccahuana, Miguel Á. Chávez-Fumagalli, Marilia Valli, Adriano D. Andricopulo, Vanderlan da S. Bolzani, Dionisio A. Olmedo, Pablo N. Solís, Marvin J. Núñez, Johny R. Rodríguez Pérez, Hoover A. Valencia Sánchez, Héctor F. Cortés Hernández, Oscar M. Mosquera Martinez, Oliver Koch, José L. Medina-Franco

Version 1 posted 08 February 2024

255

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Biological and Medicinal Chemistry

Working Paper

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

551

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Physical Chemistry

Working Paper

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

316

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Biological and Medicinal Chemistry

Working Paper

Latin American Natural Product Database (LANaPDB): an update

Alejandro Gómez-García, Daniel A. Acuña Jiménez, William J. Zamora, Haruna L. Barazorda-Ccahuana, Miguel Á. Chávez-Fumagalli, Marilia Valli, Adriano D. Andricopulo, Vanderlan da S. Bolzani, Dionisio A. Olmedo, Pablo N. Solís, Marvin J. Núñez, Johny R. Rodríguez Pérez, Hoover A. Valencia Sánchez, Héctor F. Cortés Hernández, Oscar M. Mosquera Martinez, Jose L. Medina-Franco

Version 1 posted 27 August 2024

172

Downloads

Biological and Medicinal Chemistry

Working Paper

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

131

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8 results in William J. Zamora in Authors: William J. Zamora

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

Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB

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

Profiling the natural product-likeness of Latin American compound libraries

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

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

Latin American Natural Product Database (LANaPDB): an update

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

8 results in Authors: William J. Zamora