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Author

Thales Kronenberger

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Open access Aug 2026

Bend and Snap: Computationally Exploring the Helix Bias for Classifying Abl Kinase Allosteric Modulators

This approach aids in identifying myristoyl pocket ligands, differentiating inhibitors from activators, and suggesting allosteric principles that govern their function, paving the way for more rational design of next-generation, function-specific Abl modulators.

P. T. T. F. Leite, P. O. Fernandes, D. M. Martins et al. · 0 citations
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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