Hubert Santuz

This paper introduces Statistical Molecular Interaction Fields (SMIF) to characterize RNA and protein binding pockets, showing they are fast, informative, and compatible with pharmacophoric models.

The paper models the structure of the active NOX2 complex using AlphaFold2 and experimental data, revealing the role of disordered regions in subunit assembly.

PBxplore analyzes protein structure and deformability using Protein Blocks, providing outputs like frequencies and entropy from molecular dynamics simulations.