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Theoretical and Computational Chemistry

Working Paper

Identification of Potential Inhibitors of SARS-CoV-2 Main Protease via a Rapid In-Silico Drug Repurposing Approach

Cesar Mendoza-Martinez, Alejandro Rodriguez-Lezama

Version 1 posted 09 April 2020

1,216

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4

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Biological and Medicinal Chemistry

Working Paper

Impact of Conformations and Size on the Antileishmanial Activity of New Quinazoline Derivatives

Cesar Mendoza-Martinez, Alejandro Rodriguez-Lezama, Norma Galindo-Sevilla, Fernando Cortés-Guzmán, Jessica Hernandez-Pineda, Abril Nieto-Lara, Francisco Hernandez-Luis

Version 1 posted 03 August 2020

354

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Theoretical and Computational Chemistry

Working Paper

ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery

Jochem Nelen, Miguel Carmena-Bargueño, Carlos Martínez-Cortés, Alejandro Rodríguez-Martínez, José Manuel Villalgordo-Soto, Horacio Pérez-Sánchez

Version 1 posted 14 November 2023

695

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1

Citations

Theoretical and Computational Chemistry

Working Paper

ASGARD. A simple and automatic GROMACS tool to analyze Molecular Dynamic simulations

Alejandro Rodríguez-Martínez, Jochem Nelen, Miguel Carmena-Bargueño, Carlos Martínez-Cortés, Irene Luque, Horacio Pérez-Sánchez

Version 1 posted 14 February 2023

1,552

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1

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Biological and Medicinal Chemistry

Working Paper

Semisandwich cobalt(III) complexes as antitumor agents: high intracellular ROS activity and low in vivo toxicity

Zulima Aguado, Alejandro Soriano-Jarabo, Marcos Orduña, Guillermo Cásedas, Pablo Martínez-Vicente, Pilar García-Orduña, Cristina Moliner, M. Pilar del Río, Rodriguez Martinez Ricardo

Version 1 posted 31 July 2024

163

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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

332

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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

268

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Theoretical and Computational Chemistry

Working Paper

STELLAR Enables CPU-Based Fragment Docking and Reconstruction of Large Peptides Without AI Assistance

Alejandro Rodríguez Martínez, Jochem Nelen, Miguel Carmena-Bargueño, Carlos Martínez-Cortés, Horacio Pérez-Sánchez

Version 1 posted 03 June 2025

35

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Theoretical and Computational Chemistry

Working Paper

NPDBEjeCol: a natural products database from Colombia

Johny Roberto Rodríguez-Pérez, Hoover Albeiro Valencia-Sanchez, Oscar Marino Mosquera-Martinez, Alejandro Gómez-García, Jose Luis Medina-Franco, Hector Fabio Cortes-Hernandez

Version 1 posted 09 August 2024

267

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1

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Refine Search

9 results in Alejandro Rodríguez Martínez in Authors: Alejandro Rodríguez Martínez

Identification of Potential Inhibitors of SARS-CoV-2 Main Protease via a Rapid In-Silico Drug Repurposing Approach

Impact of Conformations and Size on the Antileishmanial Activity of New Quinazoline Derivatives

ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery

ASGARD. A simple and automatic GROMACS tool to analyze Molecular Dynamic simulations

Semisandwich cobalt(III) complexes as antitumor agents: high intracellular ROS activity and low in vivo toxicity

Profiling the natural product-likeness of Latin American compound libraries

Latin American Natural Product Database (LANaPDB): an update

STELLAR Enables CPU-Based Fragment Docking and Reconstruction of Large Peptides Without AI Assistance

NPDBEjeCol: a natural products database from Colombia

9 results in Authors: Alejandro Rodríguez Martínez