226 citations · 695 across the 31 of their papers we have counts for
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A multi-scale analysis of the CzrA transcription repressor highlights the allosteric changes induced by metal ion binding
Marta Rigoli, Raffaello Potestio, Roberto Menichetti
Allosteric regulation is a widespread strategy employed by several proteins to transduce chemical signals and perform biological functions. Metal sensor proteins are exemplary in t…
Determining the optimal structural resolution of proteins through an information-theoretic analysis of their conformational ensemble
Margherita Mele, Raffaele Fiorentini, Thomas Tarenzi +2
The choice of structural resolution is a fundamental aspect of protein modelling, determining the balance between descriptive power and interpretability. Although atomistic simulat…
Ligand-protein interactions in lysozyme investigated through a dual-resolution model
Raffaele Fiorentini, Kurt Kremer, Raffaello Potestio
A fully atomistic modelling of biological macromolecules at relevant length- and time-scales is often cumbersome or not even desirable, both in terms of computational effort requir…