121 citations · 665 across the 31 of their papers we have counts for
32 papers
A method of incorporating rate constants as kinetic constraints in molecular dynamics simulations
Z. Faidon Brotzakis, Michele Vendruscolo, Peter. G. Bolhuis
From the point of view of statistical mechanics, a full characterisation of a molecular system requires the experimental determination of its possible states, their populations and…
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…
A method for partitioning the information contained in a protein sequence between its structure and function
A. Possenti, M. Vendruscolo, C. Camilloni +1
Proteins employ the information stored in the genetic code and translated into their sequences to carry out well-defined functions in the cellular environment. The possibility to e…
Particle-based simulations of steady-state mass transport at high Péclet numbers
Thomas Müller, Paolo Arosio, Luke Rajah +5
Conventional approaches for simulating steady-state distributions of particles under diffusive and advective transport at high Péclet numbers involve solving the diffusion and adve…
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…