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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Jochem Nelen

5 results in Authors: Jochem Nelen

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

1,582

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1

Citations

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

718

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1

Citations

Biological and Medicinal Chemistry

Computational Discovery and Optimization of a Potent, Selective, and Drug-like Scaffold for p38α Inhibition

Jochem Nelen, Marcia Goettert, Michael Forster, Laure Breuils, José Manuel Villalgordo-Soto, Stefan A. Laufer, Horacio Pérez-Sánchez

Version 1 posted 25 June 2025

64

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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

100

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Biological and Medicinal Chemistry

Discovery and biological evaluation of WEE1 inhibitors through virtual screening and medicinal chemistry approaches for cancer treatment

Jochem Nelen, Bidisha Sarkar, Javier Jimenez-Bernad, Antonia C. Darragh, Andrew M. Hanna, Nicole B. Servant, Mirza Jahic, José Manuel Villalgordo-Soto, Gunda I. Georg, Horacio Pérez-Sánchez

Version 1 posted 27 June 2025

73

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