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Author

José L. Medina-Franco

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Review Open access Aug 2026

SilkRoute: A Descriptor-Driven Framework for Reproducible Multi-Source Biomolecular Data Acquisition

Background Biomolecular dataset construction often requires coordinated retrieval from heterogeneous repositories, identifier mapping, cross-reference enrichment, source-specific parsing, and provenance recording. These operations are frequently implemented through project-specific scripts, making acquisition procedure...

Diego Fernández, Julián García-Vinuesa, Diego Alvarez-Saravia et al. · 0 citations
Review Open access Aug 2026

Advances in the emerging field of epi-informatics in drug discovery: roads taken and future prospects.

An updated overview of bioinformatics, chemoinformatics, and machine learning methodologies used to identify, design, and optimize compounds that modulate epigenetic processes with therapeutic potential and examines the epigenetic drug discovery landscape by analyzing the most extensively investigated epigenetic target...

Aylin del Moral-Morales, Erik D. Díaz-Dionisio, Josė L. Medina-Franco · 0 citations
Open access Aug 2026

Data-Driven Critical Evaluation of the General Solubility Equation

The utility of the GSESolver tool was exploited in medicinal chemistry applications for the in silico prediction of the Maximum Absorbable Dose of potential drugs, and in a rational agrochemical design application where solubility is a key factor.

Esteban Bertsch-Aguilar, Nahomy Quirós, Frederick Schosinsky et al. · 0 citations
#protein folding Open access Aug 2026

Ser715 Phosphorylation Induces β-Hairpin Unfolding and Destabilization of FOXM1 Autoinhibition.

A phosphorylation-triggered order-to-disorder transition that relieves FOXM1 autoinhibition and highlight Ser715 as a key structural and energetic switch is supported and provided a dynamic molecular framework for targeting FOXM1 activation via its regulatory fold.

Sara AlRawashdeh, Raghd Obidat, Aylin del Moral-Morales et al. · 1 citation
Open access Jul 2026

Underexplored Ligand‐Binding Features of FabI From Staphylococcus aureus and Escherichia coli: A Comparative Pharmacophoric Modeling and Surface Mapping Approach

The rapid spread of antimicrobial resistance, particularly among pathogens such as Staphylococcus aureus and Escherichia coli, highlights the urgent need for novel antibacterial agents with new mechanisms of action. The bacterial enoyl‐acyl carrier protein reductase (FabI), an essential enzyme in fatty acid biosynthesi...

P. T. T. F. Leite, Lucas H S Ocarino, G. Veríssimo et al. · 0 citations

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