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MELCHIONNA, SIMONE

MELCHIONNA, SIMONE  

Istituto Applicazioni del Calcolo ''Mauro Picone''  

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Titolo Data di pubblicazione Autore(i) File
Fluid flow and amyloid transport and aggregation in the brain interstitial space 1-gen-2025 Iorio, Antonio; Melchionna, Simone; Derreumaux, Philippe; Sterpone, Fabio
Comparison of effective and stable Langevin dynamics integrators 1-gen-2024 Tanygin, Bogdan; Melchionna, Simone
Dynamics and structures of amyloid aggregates under fluid flows 1-gen-2024 Iorio, Antonio; Melchionna, Simone; Derreumaux, Philippe; Sterpone, Fabio
An operative framework to model mucus clearance in silico by coupling cilia motion with the liquid environment 1-gen-2023 Laborie, Emeline; Melchionna, Simone; Sterpone, Fabio
COVID-19 therapy optimization by AI-driven biomechanical simulations 1-gen-2023 Agrimi E.; Diko A.; Carlotti D.; Ciardiello A.; Borthakur M.; Giagu S.; Melchionna S.; Voena C.
Influence of nanopore coating patterns on the translocation dynamics of polyelectrolytes 1-gen-2023 Datar, Adwait; Tanyhin, Bohdan; Melchionna, Simone; Fyta, Maria
Optimized OPEP Force Field for Simulation of Crowded Protein Solutions 1-gen-2023 Timr, Stepan; Melchionna, Simone; Derreumaux, Philippe; Sterpone, Fabio
Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis 1-gen-2021 Nguyen P.H.; Ramamoorthy A.; Sahoo B.R.; Zheng J.; Faller P.; Straub J.E.; Dominguez L.; Shea J.E.; Dokholyan N.V.; De Simone A.; Ma B.; Nussinov R.; Najafi S.; Ngo S.T.; Loquet A.; Chiricotto M.; Ganguly P.; McCarty J.; Li M.S.; Hall C.; Wang Y.; Miller Y.; Melchionna S.; Habenstein B.; Timr S.; Chen J.; Hnath B.; Strodel B.; Kayed R.; Lesne S.; Wei G.; Sterpone F.; Doig A.J.; Derreumaux P.
Exposure of Von Willebrand Factor Cleavage Site in A1A2A3-Fragment under Extreme Hydrodynamic Shear 1-gen-2021 Languin-Cattoën, Olivier; Laborie, Emeline; Yurkova, Daria O.; Melchionna, Simone; Derreumaux, Philippe; Belyaev, Aleksey V.; Sterpone, Fabio
In-silico analysis of airflow dynamics and particle transport within a human nasal cavity 1-gen-2021 Pratim Borthakur, Manash; Succi, Sauro; Sterpone, Fabio; Pérot, Franck; Diko, Anxhelo; Melchionna, Simone
Mesoscale biosimulations within a unified framework: from proteins to plasmids 1-gen-2021 Miocchi, P; Derreumaux, P; Sterpone, F; Melchionna, S
Three-stage multiscale modelling of the NMDA neuroreceptor 1-gen-2021 Di Palma, F; Succi, S; Sterpone, F; Lauricella, M; Perot, F; Melchionna, S
La salute digitale. L'algoritmo e noi 1-gen-2020 Simone Melchionna
Advancing Multi -Scale Simulation Methods for Biological Membrane Systems 1-gen-2019 Brandner, Astrid F.; Timr, Stepan; Melchionna, Simone; Derreumaux, Philippe; Baaden, Marc; Sterpone, Fabio
Curvature dynamics and long-range effects on fluid-fluid interfaces with colloids 1-gen-2019 Tiribocchi, A; Bonaccorso, F; Lauricella, M; Melchionna, S; Montessori, A; Succi, S
Disordered interfaces in soft fluids with suspended colloids 1-gen-2019 Tiribocchi, A; Lauricella, M; Montessori, A; Melchionna, S; Succi, S
Mesoscopic simulations at the physics-chemistry-biology interface 1-gen-2019 Bernaschi, Massimo; Melchionna, Simone; Succi, Sauro
Modelling lipid systems in fluid with Lattice Boltzmann Molecular Dynamics simulations and hydrodynamics 1-gen-2019 F Brandner A.; Timr S.; Melchionna S.; Derreumaux P.; Baaden M.; Sterpone F.
Multi-Scale Simulations Yield Insight into Protein Diffusion and Stability in Crowded Environments 1-gen-2019 Timr, Stepan; Melchionna, Simone; Derreumaux, Philippe; Sterpone, Fabio
Multiscale Aggregation of the Amyloid A? 16-22 Peptide: From Disordered Coagulation and Lateral Branching to Amorphous Prefibrils 1-gen-2019 Chiricotto, M; Melchionna, S; Derreumaux, P; Sterpone, F