Rodrigo V. Honorato

PowerFit improves computational performance for rigid-body fitting of atomic structures into cryo-EM maps while maintaining accuracy and providing interactive visualization.

The paper integrates the MARTINI2 force field into HADDOCK3 to enable faster modelling of large biomolecular complexes with reduced computational costs while maintaining accuracy.

HADDOCK3 is a new modular platform for integrative biomolecular complex modelling, offering enhanced flexibility and integration with third-party tools to complement machine learning predictions.

This study uses NMR and modeling to determine how MinC interacts with FtsZ, revealing that MinC caps FtsZ filaments to inhibit Z-ring formation.

The paper summarizes HADDOCK's performance in CAPRI rounds 47-55, highlighting the effectiveness of integrating HADDOCK with AI-driven methods like AlphaFold2 for protein complex structure prediction.

ARCTIC-3D retrieves and clusters protein-protein interface data from structural information to classify interfaces and model biomolecular assemblies.

The paper evaluates HADDOCK's performance in CAPRI rounds 38-45, showing it produces acceptable or better models for most targets using data-driven strategies.

The paper introduces a coarse-grained modeling approach in HADDOCK to predict large biomolecular assemblies, achieving faster calculations with maintained accuracy.