Sfoglia per Autore
Combining cell-based hydrodynamics with hybrid particle-field simulations: efficient and realistic simulation of structuring dynamics
2017 Sevink, G. J. A.; Schmid, F.; Kawakatsu, T.; Milano, G.
Biomembrane solubilization mechanism by Triton X-100: a computational study of the three stage model
2017 Pizzirusso, Antonio; De Nicola, Antonio; Sevink, G. J. Agur; Correa, Andrea; Cascella, Michele; Kawakatsu, Toshihiro; Rocco, Mattia; Zhao, Ying; Celino, Massimo; Milano, Giuseppe
Local Structure and Dynamics of Water Absorbed in Poly(ether imide): A Hydrogen Bonding Anatomy
2017 de Nicola, Antonio; Correa, Andrea; Milano, Giuseppe; La Manna, Pietro; Musto, Pellegrino; Mensitieri, Giuseppe; Scherillo, Giuseppe
Toward Chemically Resolved Computer Simulations of Dynamics and Remodeling of Biological Membranes
2017 Soares, T. A.; Vanni, S.; Milano, G.; Cascella, M.
Hybrid particle-field molecular dynamics simulation for polyelectrolyte systems
2016 Zhu, Y. -L.; Lu, Z. -Y.; Milano, G.; Shi, A. -C.; Sun, Z. -Y.
Self-assembly of carbon nanotubes in polymer melts: Simulation of structural and electrical behaviour by hybrid particle-field molecular dynamics
2016 Zhao, Y.; Byshkin, M.; Cong, Y.; Kawakatsu, T.; Guadagno, L.; De Nicola, A.; Yu, N.; Milano, G.; Dong, B.
Fast relaxation of coarse-grained models of polymer interphases by hybrid particle-field molecular dynamics: Polystyrene-silica nanocomposites as an example
2016 De Nicola, A.; Kawakatsu, T.; Muller-Plathe, F.; Milano, G.
MARTINI Coarse-Grained Model of Triton TX-100 in Pure DPPC Monolayer and Bilayer Interfaces
2016 Pizzirusso, A.; De Nicola, A.; Milano, G.
Rational design of nanoparticle/monomer interfaces: A combined computational and experimental study of in situ polymerization of silica based nanocomposites
2015 De Nicola, A.; Avolio, R.; Della Monica, F.; Gentile, G.; Cocca, M.; Capacchione, C.; Errico, M. E.; Milano, G.
A unified bottom up multiscale strategy to model gas sensors based on conductive polymers
2015 Byshkin, M. S.; Buonocore, F.; Di Matteo, A.; Milano, G.
Self-Assembled Morphologies and Percolation Probability of Mixed Carbon Fillers in the Diblock Copolymer Template: Hybrid Particle-Field Molecular Dynamics Simulation
2015 Zhao, Y.; Milano, G.; Cong, Y.; Yu, N.; He, Y.; Cong, Y.; Yuan, Q.; Dong, B.
Cosolvent, ions, and temperature effects on the structural properties of cecropin A-Magainin 2 hybrid peptide in solutions
2015 Sarukhanyan, E.; Milano, G.; Roccatano, D.
Self-Assembly of Triton X-100 in Water Solutions: A Multiscale Simulation Study Linking Mesoscale to Atomistic Models
2015 De Nicola, A.; Kawakatsu, T.; Rosano, C.; Celino, M.; Rocco, M.; Milano, G.
Coarse-grained modelling of triglyceride crystallisation: A molecular insight into tripalmitin tristearin binary mixtures by molecular dynamics simulations
2015 Pizzirusso, A.; Brasiello, A.; De Nicola, A.; Marangoni, A. G.; Milano, G.
Computational Study of Polypropylene melt: effect of stereoregularity on chain dimension.
2015 Antoni De Nicola, ; Auriemma, Finizia; Claudio, ; DE ROSA, Claudio; Toshihiro, Kawakatsu; Milano, Giuseppe
Coating mechanisms of single-walled carbon nanotube by linear polyether surfactants: Insights from computer simulations
2014 Sarukhanyan, E.; Milano, G.; Roccatano, D.
Micellar drug nanocarriers and biomembranes: How do they interact?
2014 De Nicola, A.; Hezaveh, S.; Zhao, Y.; Kawakatsu, T.; Roccatano, D.; Milano, G.
A recurrent Gly43Asp substitution in coagulation Factor X rigidifies its catalytic pocket and impairs catalytic activity and intracellular trafficking
2014 Menegatti, M.; Vangone, A.; Palla, R.; Milano, G.; Cavallo, L.; Oliva, R.; De Cristofaro, R.; Peyvandi, F.
Spontaneous insertion of carbon nanotube bundles inside biomembranes: A hybrid particle-field coarse-grained molecular dynamics study
2014 Sarukhanyan, E.; De Nicola, A.; Roccatano, D.; Kawakatsu, T.; Milano, G.
Generation of well-relaxed all-atom models of large molecular weight polymer melts: A hybrid particle-continuum approach based on particle-field molecular dynamics simulations
2014 De Nicola, A.; Kawakatsu, T.; Milano, G.
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