| 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 | 86 | 2012 |
| 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 | 80 | 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 | 67 | 2011 |
| Molecular structure and multi-body potential of mean force in silica-polystyrene nanocomposites G Munaò, A Pizzirusso, A Kalogirou, A De Nicola, T Kawakatsu, ... Nanoscale 10 (46), 21656-21670, 2018 | 56 | 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 | 52 | 2017 |
| 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 | 48 | 2016 |
| 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 | 47 | 2015 |
| 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 | 47 | 2014 |
| 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 | 42 | 2013 |
| 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 | 41 | 2014 |
| 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 | 38 | 2017 |
| 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 | 33 | 2018 |
| 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 | 33 | 2012 |
| 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 | 30 | 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 | 29 | 2014 |
| 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 | 27 | 2018 |
| 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 | 27 | 2015 |
| 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 | 27 | 2015 |
| 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 | 26 | 2020 |
| Influence of polymer bidispersity on the effective particle–particle interactions in polymer nanocomposites G Munaò, A De Nicola, F Müller-Plathe, T Kawakatsu, A Kalogirou, ... Macromolecules 52 (22), 8826-8839, 2019 | 26 | 2019 |
Giuseppe MilanoUniversità degli Studi di Napoli Federico IIE-mail confirmado em unina.it
