Menichetti, Roberto
Menichetti, Roberto
Fisica (29/10/12-)
A Deep Graph Network-Enhanced Sampling Approach to Efficiently Explore the Space of Reduced Representations of Proteins
2021-01-01 Errica, F; Giulini, M; Bacciu, D; Menichetti, R; Micheli, A; Potestio, R
A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules
2021-01-01 Menichetti, Roberto; Giulini, Marco; Potestio, Raffaello
An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules
2020-01-01 Giulini, M.; Menichetti, R.; Shell, M. S.; Potestio, R.
Coarse-graining polymer solutions: A critical appraisal of single- and multi-site models
2015-01-01 D'Adamo, G.; Menichetti, R.; Pelissetto, A.; Pierleoni, C.
Comparing different coarse-grained potentials for star polymers
2013-01-01 Menichetti, R.; Pelissetto, A.
Controlled exploration of chemical space by machine learning of coarse-grained representations
2019-01-01 Hoffmann, C.; Menichetti, R.; Kanekal, K. H.; Bereau, T.
Drug-Membrane Permeability across Chemical Space
2019-01-01 Menichetti, R.; Kanekal, K. H.; Bereau, T.
Efficient potential of mean force calculation from multiscale simulations: Solute insertion in a lipid membrane
2018-01-01 Menichetti, R.; Kremer, K.; Bereau, T.
EXCOGITO, an Extensible Coarse-Graining Toolbox for the Investigation of Biomolecules by Means of Low-Resolution Representations
2024-01-01 Giulini, Marco; Fiorentini, Raffaele; Tubiana, Luca; Potestio, Raffaello; Menichetti, Roberto
From System Modeling to System Analysis: The Impact of Resolution Level and Resolution Distribution in the Computer-Aided Investigation of Biomolecules
2021-01-01 Giulini, Marco; Rigoli, Marta; Mattiotti, Giovanni; Menichetti, Roberto; Tarenzi, Thomas; Fiorentini, Raffaele; Potestio, Raffaello
In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force
2017-01-01 Menichetti, R.; Kanekal, K. H.; Kremer, K.; Bereau, T.
Integral equation analysis of single-site coarse-grained models for polymer-colloid mixtures
2015-01-01 Menichetti, R.; Dadamo, G.; Pelissetto, A.; Pierleoni, C.
Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations
2020-01-01 Hoffmann, C.; Centi, A.; Menichetti, R.; Bereau, T.
Revisiting the Meyer-Overton rule for drug-membrane permeabilities
2019-01-01 Menichetti, R.; Bereau, T.
Thermodynamics of star polymer solutions: A coarse-grained study
2017-01-01 Menichetti, R.; Pelissetto, A.; Randisi, F.