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Search: authors:"Radusky, Leandro"

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FoldX accurate structural protein–DNA binding prediction using PADA1 (Protein Assisted DNA Assembly 1)

The speed at which new genomes are being sequenced highlights the need for genome-wide methods capable of predicting protein–DNA interactions. Here, we present PADA1, a generic algorithm that accurately models structural complexes and predicts the DNA-binding regions of resolved protein structures. PADA1 relies on a library of protein and double-stranded DNA fragment pairs...

Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens

Available genomic data for pathogens has created new opportunities for drug discovery and development to fight them, including new resistant and multiresistant strains. In particular structural data must be integrated with both, gene information and experimental results. In this sense, there is a lack of an online resource that allows genome wide-based data consolidation from...

Protein Frustratometer 2: a tool to localize energetic frustration in protein molecules, now with electrostatics

The protein frustratometer is an energy landscape theory-inspired algorithm that aims at localizing and quantifying the energetic frustration present in protein molecules. Frustration is a useful concept for analyzing proteins’ biological behavior. It compares the energy distributions of the native state with respect to structural decoys. The network of minimally frustrated...