3.9k citations · 6.1k across the 7 of their papers we have counts for
8 papers
Multi-replica biased sampling for photoswitchable pi-conjugated polymers
Mariagrazia Fortino, Concetta Cozza, Massimiliano Bonomi +1
In recent years, pi-conjugated polymers are attracting considerable interest in view of their light-dependent torsional reorganization around the pi-conjugated backbone, which dete…
What will computational modelling approaches have to say in the era of atomistic cryo-EM data?
James S. Fraser, Kresten Lindorff-Larsen, Massimiliano Bonomi
The focus of this viewpoint is to identify, in the era of atomistic resolution cryo-electron microscopy data, the areas in which computational modelling and molecular simulations w…
A practical guide to the simultaneous determination of protein structure and dynamics using metainference
Thomas Löhr, Carlo Camilloni, Massimiliano Bonomi +1
Accurate protein structural ensembles can be determined with metainference, a Bayesian inference method that integrates experimental information with prior knowledge of the system…
Determination of protein structural ensembles using cryo-electron microscopy
Massimiliano Bonomi, Michele Vendruscolo
Achieving a comprehensive understanding of the behaviour of proteins is greatly facilitated by the knowledge of their structures, thermodynamics and dynamics. All this information…
Metainference: A Bayesian Inference Method for Heterogeneous Systems
Massimiliano Bonomi, Carlo Camilloni, Andrea Cavalli +1
Modelling a complex system is almost invariably a challenging task. The incorporation of experimental observations can be used to improve the quality of a model, and thus to obtain…
PLUMED 2: New feathers for an old bird
Gareth A. Tribello, Massimiliano Bonomi, Davide Branduardi +2
Enhancing sampling and analyzing simulations are central issues in molecular simulation. Recently, we introduced PLUMED, an open-source plug-in that provides some of the most popul…