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5 results in Authors: Miguel Carmena-Bargueño

Theoretical and Computational Chemistry

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

Citations

Biological and Medicinal Chemistry

Secondary Metabolites from Caulerpa Cylindracea (Sonder) Could Be Alternative Natural Antiviral Compounds for COVID-19: A Further in Silico Proof

Levent Çavaş, Cengizhan Dag, Miguel Carmena-Bargueño, Carlos Martínez-Cortés, Horacio Pérez-Sánchez

Version 3 posted 12 July 2022

1,022

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Theoretical and Computational Chemistry

TOLEDO: Accelerated Maestro GUI molecular dynamics simulations

Miguel Carmena-Bargueño, Carlos Martínez-Cortés, Antonio Jesús Banegas-Luna, Horacio Pérez-Sánchez

Version 2 posted 01 June 2023

861

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Theoretical and Computational Chemistry

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

694

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1

Citations

Theoretical and Computational Chemistry

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

11

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