Diego Ulises Ferreiro

Frustraevo: A Web Server To Localize And Quantify The Conservation Of Local Energetic Frustration In Protein Families

FrustraEvo calculates and quantifies the conservation of local energetic frustration in protein families to identify evolutionary stability and functional constraints.

The Evolution of Local Energetic Frustration in Protein Families

The paper analyzes local energetic frustration in protein families to uncover stability and function constraints, demonstrating its application to SARS-CoV-2 and poorly characterized proteins.

FrustraPocket: A protein-ligand binding site predictor using energetic local frustration

FrustraPocket identifies protein-ligand binding sites from unbound protein structures by detecting regions of local energetic frustration.

mebipred: identifying metal-binding potential in protein sequences.

The paper introduces mebipred, a machine learning tool for predicting metal-binding proteins from sequence data, achieving 90% accuracy and outperforming existing methods.

FrustratometeR: an R-package to compute Local frustration in protein structures, point mutants and MD simulations

FrustratometeR computes local energetic frustration in protein structures, point mutants, and MD simulations for structural analysis.

Frustration in protein complexes leads to interaction versatility

The paper shows that disordered proteins in fuzzy complexes retain residual frustration, leading to interaction versatility with different partners.

Large Ankyrin repeat proteins are formed with similar and energetically favorable units

The paper analyzes a large dataset of Ankyrin-containing proteins to characterize the structure, abundance, and energetics of their repetitive regions, finding that longer arrays have more similar repeats and favorable folding energy.