226 citations · 695 across the 31 of their papers we have counts for
10 papers · 1 filter
Artificial life of an active droplets system: a quantitative lifecycle analysis
Matteo Scandola, Silvia Holler, Richard J. G. Loeffler +3
The study of synthetic active matter systems holds the promise for designing smart materials and devices with emergent characteristics akin to those of living organisms, eventually…
Molecular dynamics characterization of the free and encapsidated RNA2 of CCMV with the oxRNA model
Giovanni Mattiotti, Manuel Micheloni, Lorenzo Petrolli +3
The cowpea chlorotic mottle virus (CCMV) has emerged as an exemplary model system to assess the balance between electrostatic and topological features of ssRNA viruses, specificall…
EXCOGITO, an extensible coarse-graining toolbox for the investigation of biomolecules by means of low-resolution representation
Marco Giulini, Raffaele Fiorentini, Luca Tubiana +2
Bottom-up coarse-grained (CG) models proved to be essential to complement and sometimes even replace all-atom representations of soft matter systems and biological macromolecules.…
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…
Information-theoretical measures identify accurate low-resolution representations of protein configurational space
Margherita Mele, Roberto Covino, Raffaello Potestio
A steadily growing computational power is employed to perform molecular dynamics simulations of biological macromolecules, which represents at the same time an immense opportunity…
A mapping space Odyssey: characterising the statistical and metric properties of reduced representations of macromolecules
Roberto Menichetti, Marco Giulini, Raffaello Potestio
Simplified representations of macromolecules help in rationalising and understanding the outcome of atomistic simulations, and serve to the construction of effective, coarse-graine…