| 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 | 80 | 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 | 74 | 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 | 48 | 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 | 43 | 2017 |
| 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 | 43 | 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 | 42 | 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 | 40 | 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 | 39 | 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 | 37 | 2013 |
| 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 | 32 | 2017 |
| 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 | 31 | 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 |
| 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 | 27 | 2018 |
| 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 | 26 | 2015 |
| 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 | 25 | 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 | 24 | 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 Müller-Plathe, G Milano The European Physical Journal Special Topics 225, 1817-1841, 2016 | 24 | 2016 |
| 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 | 22 | 2016 |
| 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 | 20 | 2020 |
Giuseppe MilanoUniversità degli Studi di Napoli Federico IIVerified email at unina.it
