Author
Utrecht UniversityORCID 0000-0001-6705-2815Unclaimed ORCID profile · follow to get notified of new preprints
Mutual co-authors in cluster
4 papers
Recent·Most cited
Panagiotis I. Koukos, Nastazia Lesgidou, Sepehr Dehghani‐Ghahnaviyeh…·Zoe Cournia
This study maps the free energy landscape of K-Ras4B dimerization using simulations, revealing multiple interfaces and showing the G12D mutant forms more diverse dimers than wild-type.
Victor Reys, Marco Giulini, Vlad Cojocaru…·Alexandre M. J. J. Bonvin
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.
Panagiotis I. Koukos, Manon F. Réau, Alexandre M. J. J. Bonvin
The paper introduces two new HADDOCK protocols for protein-small molecule docking using shape restraints from homologous compounds, achieving an 81% success rate on unbound docking benchmarks.
Panagiotis I. Koukos, Jorge Roel‐Touris, Francesco Ambrosetti…·Alexandre M. J. J. Bonvin
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.