Area of research
Molecular Biology · Computational Theory and Mathematics
Research interest
Research interests include Computer science, Docking (animal), Chemistry, Data science, Interface (matter), and Workflow.
The HADDOCK2.4 web server for integrative modeling of biomolecular complexes
Pathogen-sugar interactions revealed by universal saturation transfer analysis
Structural Biology in the Clouds: The WeNMR-EOSC Ecosystem
Prediction of protein assemblies, the next frontier: The <scp>CASP14‐CAPRI</scp> experiment
Structural Biology in the Clouds: The WeNMR-EOSC Ecosystem
Shape-Restrained Modeling of Protein–Small-Molecule Complexes with High Ambiguity Driven DOCKing
Blind prediction of homo‐ and hetero‐protein complexes: The CASP13‐CAPRI experiment
Integrative Modelling of Biomolecular Complexes
PRODIGY-crystal: a web-tool for classification of biological interfaces in protein complexes
Large-scale prediction of binding affinity in protein–small ligand complexes: the PRODIGY-LIG web server
Protein–ligand pose and affinity prediction: Lessons from D3R Grand Challenge 3
A Membrane Protein Complex Docking Benchmark
Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2
Membrane proteins structures: A review on computational modeling tools
SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots