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The Journal of Physical Chemistry. B|April 18, 2023
Optimized OPEP Force Field for Simulation of Crowded Protein SolutionsStepan Timr, Simone Melchionna, Philippe Derreumaux, et al.
Scientific Reports|November 13, 2019
Modelling lipid systems in fluid with Lattice Boltzmann Molecular Dynamics simulations and hydrodynamicsAstrid F Brandner, Stepan Timr, Simone Melchionna, et al.
The Journal of Physical Chemistry. B|January 13, 2018
Molecular Mechanism of Protein Unfolding under Shear: A Lattice Boltzmann Molecular Dynamics StudyFabio Sterpone, Philippe Derreumaux, Simone Melchionna
Journal of Chemical Theory and Computation|November 18, 2015
Protein Simulations in Fluids: Coupling the OPEP Coarse-Grained Force Field with HydrodynamicsFabio Sterpone, Philippe Derreumaux, Simone Melchionna
The Journal of Chemical Physics|July 25, 2016
Hydrodynamic effects on β-amyloid (16-22) peptide aggregationMara Chiricotto, Simone Melchionna, Philippe Derreumaux, et al.
PNAS Nexus|December 30, 2024
Fluid flow and amyloid transport and aggregation in the brain interstitial spaceAntonio Iorio, Simone Melchionna, Philippe Derreumaux, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|October 5, 2016
Multiscale simulation of molecular processes in cellular environmentsMara Chiricotto, Fabio Sterpone, Philippe Derreumaux, et al.
The Journal of Physical Chemistry Letters|February 12, 2024
Dynamics and Structures of Amyloid Aggregates under Fluid FlowsAntonio Iorio, Simone Melchionna, Philippe Derreumaux, et al.
The Journal of Physical Chemistry Letters|March 21, 2019
Multiscale Aggregation of the Amyloid Aβ16-22 Peptide: From Disordered Coagulation and Lateral Branching to Amorphous PrefibrilsMara Chiricotto, Simone Melchionna, Philippe Derreumaux, et al.
The Journal of Physical Chemistry Letters|February 11, 2021
Stabilizing or Destabilizing: Simulations of Chymotrypsin Inhibitor 2 under Crowding Reveal Existence of a Crossover TemperatureStepan Timr, Fabio Sterpone
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