Statistical Molecular Interaction Fields: A Fast andInformative Tool for Characterizing RNA and ProteinBinding Pockets
Diego Barquero-Morera, Giovanni Mattiotti, Alexandar Kocev, Amshuman Rousselot, Louis Meuret, Lucas Rouaud, Hubert Santuz, Marc Baaden, Antoine Taly, Samuela Pasquali
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.
Journal of Chemical Theory and Computation · Sep 1, 2025Peer-reviewedBiophysics