Antonio De Nicola
Antonio De Nicola
Department of Organic Materials Science, Yamagata University
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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
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
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
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
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 (3), 1167, 2012
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
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
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
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
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
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
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
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
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
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
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
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
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 (8-9), 1817-1841, 2016
Coarse-grained modelling of triglyceride crystallisation: a molecular insight into tripalmitin tristearin binary mixtures by molecular dynamics simulations
A Pizzirusso, A Brasiello, A De Nicola, AG Marangoni, G Milano
Journal of Physics D: Applied Physics 48 (49), 494004, 2015
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
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