Publications by authors named "Roberto Menichetti"

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Low-resolution descriptions of model neural activity reveal hidden features and underlying system properties.
Riccardo Aldrigo, Roberto Menichetti, Raffaello Potestio

Phys Rev E· April 2025

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A Multiscale Analysis of the CzrA Transcription Repressor Highlights the Allosteric Changes Induced by Metal Ion Binding.
Marta Rigoli, Raffaello Potestio, Roberto Menichetti

J Phys Chem B· January 2025

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EXCOGITO, an Extensible Coarse-Graining Toolbox for the Investigation of Biomolecules by Means of Low-Resolution Representations.
Marco Giulini, Raffaele Fiorentini, Luca Tubiana, Raffaello Potestio, Roberto Menichetti

J Chem Inf Model· June 2024

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A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules.
Roberto Menichetti, Marco Giulini, Raffaello Potestio

Eur Phys J B· October 2021

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From System Modeling to System Analysis: The Impact of Resolution Level and Resolution Distribution in the Computer-Aided Investigation of Biomolecules.
Marco Giulini, Marta Rigoli, Giovanni Mattiotti, Roberto Menichetti, Thomas Tarenzi

Front Mol Biosci· June 2021

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A Deep Graph Network-Enhanced Sampling Approach to Efficiently Explore the Space of Reduced Representations of Proteins.
Federico Errica, Marco Giulini, Davide Bacciu, Roberto Menichetti, Alessio Micheli

Front Mol Biosci· April 2021

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An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules.
Marco Giulini, Roberto Menichetti, M Scott Shell, Raffaello Potestio

J Chem Theory Comput· November 2020

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Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations.
Christian Hoffmann, Alessia Centi, Roberto Menichetti, Tristan Bereau

Sci Data· February 2020

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Controlled exploration of chemical space by machine learning of coarse-grained representations.
Christian Hoffmann, Roberto Menichetti, Kiran H Kanekal, Tristan Bereau

Phys Rev E· September 2019

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Drug-Membrane Permeability across Chemical Space.
Roberto Menichetti, Kiran H Kanekal, Tristan Bereau

ACS Cent Sci· February 2019

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Efficient potential of mean force calculation from multiscale simulations: Solute insertion in a lipid membrane.
Roberto Menichetti, Kurt Kremer, Tristan Bereau

Biochem Biophys Res Commun· March 2018

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In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force.
Roberto Menichetti, Kiran H Kanekal, Kurt Kremer, Tristan Bereau

J Chem Phys· September 2017

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Thermodynamics of star polymer solutions: A coarse-grained study.
Roberto Menichetti, Andrea Pelissetto, Ferdinando Randisi

J Chem Phys· June 2017

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Comparing different coarse-grained potentials for star polymers.
Roberto Menichetti, Andrea Pelissetto

J Chem Phys· March 2013

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