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Antonio De Nicola
Antonio De Nicola
Scuola Superiore Meridionale
Verified email at unina.it
Title
Cited by
Cited by
Year
Understanding the interaction of block copolymers with DMPC lipid bilayer using coarse-grained molecular dynamics simulations
S Hezaveh, S Samanta, A De Nicola, G Milano, D Roccatano
The journal of physical chemistry B 116 (49), 14333-14345, 2012
802012
Hybrid particle‐field molecular dynamics simulations: Parallelization and benchmarks
Y Zhao, A De Nicola, T Kawakatsu, G Milano
Journal of Computational Chemistry 33 (8), 868-880, 2012
742012
Hybrid particle-field coarse-grained models for biological phospholipids
A De Nicola, Y Zhao, T Kawakatsu, D Roccatano, G Milano
Journal of Chemical Theory and Computation 7 (9), 2947-2962, 2011
672011
Molecular structure and multi-body potential of mean force in silica-polystyrene nanocomposites
G Muna˛, A Pizzirusso, A Kalogirou, A De Nicola, T Kawakatsu, ...
Nanoscale 10 (46), 21656-21670, 2018
482018
Biomembrane solubilization mechanism by Triton X-100: a computational study of the three stage model
A Pizzirusso, A De Nicola, GJA Sevink, A Correa, M Cascella, ...
Physical Chemistry Chemical Physics 19 (44), 29780-29794, 2017
432017
Micellar drug nanocarriers and biomembranes: how do they interact?
A De Nicola, S Hezaveh, Y Zhao, T Kawakatsu, D Roccatano, G Milano
Physical Chemistry Chemical Physics 16 (11), 5093-5105, 2014
432014
Self-assembly of carbon nanotubes in polymer melts: simulation of structural and electrical behaviour by hybrid particle-field molecular dynamics
Y Zhao, M Byshkin, Y Cong, T Kawakatsu, L Guadagno, A De Nicola, ...
Nanoscale 8 (34), 15538-15552, 2016
422016
Self-Assembly of triton X-100 in water solutions: A multiscale simulation study linking mesoscale to atomistic models
A De Nicola, T Kawakatsu, C Rosano, M Celino, M Rocco, G Milano
Journal of Chemical Theory and Computation 11 (10), 4959-4971, 2015
402015
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
A De Nicola, T Kawakatsu, G Milano
Journal of Chemical Theory and Computation 10 (12), 5651-5667, 2014
392014
A hybrid particle–field molecular dynamics approach: a route toward efficient coarse-grained models for biomembranes
G Milano, T Kawakatsu, A De Nicola
Physical Biology 10 (4), 045007, 2013
372013
Local structure and dynamics of water absorbed in poly (ether imide): a hydrogen bonding anatomy
A de Nicola, A Correa, G Milano, P La Manna, P Musto, G Mensitieri, ...
The Journal of Physical Chemistry B 121 (14), 3162-3176, 2017
322017
Validation of a hybrid MD-SCF coarse-grained model for DPPC in non-lamellar phases
A De Nicola, Y Zhao, T Kawakatsu, D Roccatano, G Milano
Theoretical Chemistry Accounts 131, 1-16, 2012
312012
A Hybrid Particle‐Field Coarse‐Grained Molecular Model for Pluronics Water Mixtures
A De Nicola, T Kawakatsu, G Milano
Macromolecular Chemistry and Physics 214 (17), 1940-1950, 2013
302013
Nanoparticles at biomimetic interfaces: combined experimental and simulation study on charged gold nanoparticles/lipid bilayer interfaces
T Pfeiffer, A De Nicola, C Montis, F Carlà, NFA van der Vegt, D Berti, ...
The journal of physical chemistry letters 10 (2), 129-137, 2018
272018
Rational design of nanoparticle/monomer interfaces: a combined computational and experimental study of in situ polymerization of silica based nanocomposites
A De Nicola, R Avolio, F Della Monica, G Gentile, M Cocca, ...
RSC advances 5 (87), 71336-71340, 2015
262015
Spontaneous insertion of carbon nanotube bundles inside biomembranes: a hybrid particle-field coarse-grained molecular dynamics study
E Sarukhanyan, A De Nicola, D Roccatano, T Kawakatsu, G Milano
Chemical Physics Letters 595, 156-166, 2014
252014
Hybrid particle-field molecular dynamics simulations of charged amphiphiles in an aqueous environment
HB Kolli, A De Nicola, SL Bore, K Schäfer, G Diezemann, J Gauss, ...
Journal of Chemical Theory and Computation 14 (9), 4928-4937, 2018
242018
Fast relaxation of coarse-grained models of polymer interphases by hybrid particle-field molecular dynamics: Polystyrene-silica nanocomposites as an example
A De Nicola, T Kawakatsu, F MŘller-Plathe, G Milano
The European Physical Journal Special Topics 225, 1817-1841, 2016
242016
MARTINI coarse-grained model of Triton TX-100 in pure DPPC monolayer and bilayer interfaces
A Pizzirusso, A De Nicola, G Milano
The Journal of Physical Chemistry B 120 (16), 3821-3832, 2016
222016
Effect of Trapped Solvent on the Interface between PS-b-PMMA Thin Films and P(S-r-MMA) Brush Layers
K Sparnacci, R Chiarcos, V Gianotti, M Laus, TJ Giammaria, M Perego, ...
ACS applied materials & interfaces 12 (6), 7777-7787, 2020
202020
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