Aggregation and vesiculation of membrane proteins by curvature-mediated interactions BJ Reynwar, G Illya, VA Harmandaris, MM Müller, K Kremer, M Deserno Nature 447 (7143), 461-464, 2007 | 864 | 2007 |
Hierarchical modeling of polystyrene: From atomistic to coarse-grained simulations VA Harmandaris, NP Adhikari, NFA van der Vegt, K Kremer Macromolecules 39 (19), 6708-6719, 2006 | 410 | 2006 |
Crossover from the rouse to the entangled polymer melt regime: signals from long, detailed atomistic molecular dynamics simulations, supported by rheological experiments VA Harmandaris, VG Mavrantzas, DN Theodorou, M Kröger, J Ramirez, ... Macromolecules 36 (4), 1376-1387, 2003 | 270 | 2003 |
Dynamics of polystyrene melts through hierarchical multiscale simulations VA Harmandaris, K Kremer Macromolecules 42 (3), 791-802, 2009 | 237 | 2009 |
Atomistic molecular dynamics simulation of polydisperse linear polyethylene melts VA Harmandaris, VG Mavrantzas, DN Theodorou Macromolecules 31 (22), 7934-7943, 1998 | 226 | 1998 |
Detailed atomistic simulation of a polymer melt/solid interface: structure, density, and conformation of a thin film of polyethylene melt adsorbed on graphite KC Daoulas, VA Harmandaris, VG Mavrantzas Macromolecules 38 (13), 5780-5795, 2005 | 217 | 2005 |
Multiscale modeling of soft matter: scaling of dynamics D Fritz, K Koschke, VA Harmandaris, NFA van der Vegt, K Kremer Physical Chemistry Chemical Physics 13 (22), 10412-10420, 2011 | 210 | 2011 |
Comparison Between Coarse‐Graining Models for Polymer Systems: Two Mapping Schemes for Polystyrene VA Harmandaris, D Reith, NFA Van der Vegt, K Kremer Macromolecular chemistry and physics 208 (19‐20), 2109-2120, 2007 | 203 | 2007 |
Molecular dynamics simulation of a polymer melt/solid interface: Local dynamics and chain mobility in a thin film of polyethylene melt adsorbed on graphite VA Harmandaris, KC Daoulas, VG Mavrantzas Macromolecules 38 (13), 5796-5809, 2005 | 198 | 2005 |
Coarse-grained polymer melts based on isolated atomistic chains: Simulation of polystyrene of different tacticities D Fritz, VA Harmandaris, K Kremer, NFA Van Der Vegt Macromolecules 42 (19), 7579-7588, 2009 | 184 | 2009 |
A novel method for measuring the bending rigidity of model lipid membranes by simulating tethers VA Harmandaris, M Deserno The Journal of chemical physics 125 (20), 2006 | 163 | 2006 |
Dynamics of various polymer–graphene interfacial systems through atomistic molecular dynamics simulations AN Rissanou, V Harmandaris Soft Matter 10 (16), 2876-2888, 2014 | 145 | 2014 |
Structure of biomolecules through molecular dynamics simulations M Arnittali, AN Rissanou, V Harmandaris Procedia Computer Science 156, 69-78, 2019 | 117 | 2019 |
Detailed molecular dynamics simulation of the self-diffusion of n-alkane and cis-1, 4 polyisoprene oligomer melts VA Harmandaris, M Doxastakis, VG Mavrantzas, DN Theodorou The Journal of chemical physics 116 (1), 436-446, 2002 | 115 | 2002 |
Effect of solvent on the self-assembly of dialanine and diphenylalanine peptides AN Rissanou, E Georgilis, E Kasotakis, A Mitraki, V Harmandaris The Journal of Physical Chemistry B 117 (15), 3962-3975, 2013 | 114 | 2013 |
Predicting polymer dynamics at multiple length and time scales VA Harmandaris, K Kremer Soft Matter 5 (20), 3920-3926, 2009 | 96 | 2009 |
Structural and dynamical properties of polyethylene/graphene nanocomposites through molecular dynamics simulations AN Rissanou, AJ Power, V Harmandaris Polymers 7 (3), 390-417, 2015 | 93 | 2015 |
Fluorescence correlation spectroscopy study of molecular probe diffusion in polymer melts T Cherdhirankorn, V Harmandaris, A Juhari, P Voudouris, G Fytas, ... Macromolecules 42 (13), 4858-4866, 2009 | 89 | 2009 |
Structure and dynamics of poly (methyl methacrylate)/graphene systems through atomistic molecular dynamics simulations AN Rissanou, V Harmandaris Journal of nanoparticle research 15, 1-14, 2013 | 86 | 2013 |
Ethylbenzene diffusion in polystyrene: United atom atomistic/coarse grained simulations and experiments VA Harmandaris, NP Adhikari, NFA van der Vegt, K Kremer, BA Mann, ... Macromolecules 40 (19), 7026-7035, 2007 | 76 | 2007 |