23 citations · 23 across the 3 of their papers we have counts for
3 papers
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…
Fast, accurate, and system-specific variable-resolution modelling of proteins
Raffaele Fiorentini, Thomas Tarenzi, Raffaello Potestio
In recent years, a few multiple-resolution modelling strategies have been proposed, in which functionally relevant parts of a biomolecule are described with atomistic resolution, w…
Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme
Thomas Tarenzi, Vania Calandrini, Raffaello Potestio +2
The recently proposed Hamiltonian Adaptive Resolution Scheme (H-AdResS) allows to perform molecular simulations in an open boundary framework. It allows to change on the fly the re…