Simone Melchionna, PhD
Simone Melchionna, PhD
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Cited by
Cited by
Hoover NPT dynamics for systems varying in shape and size
S Melchionna, G Ciccotti, B Lee Holian
Molecular Physics 78 (3), 533-544, 1993
Amyloid â protein and Alzheimer˘s disease: When computer simulations complement experimental studies
J Nasica-Labouze, PH Nguyen, F Sterpone, O Berthoumieu, NV Buchete, ...
Chemical reviews 115 (9), 3518-3563, 2015
Amyloid oligomers: A joint experimental/computational perspective on Alzheimer˘s disease, Parkinson˘s disease, type II diabetes, and amyotrophic lateral sclerosis
PH Nguyen, A Ramamoorthy, BR Sahoo, J Zheng, P Faller, JE Straub, ...
Chemical reviews 121 (4), 2545-2647, 2021
Evaluation of artery visualizations for heart disease diagnosis
M Borkin, K Gajos, A Peters, D Mitsouras, S Melchionna, F Rybicki, ...
IEEE transactions on visualization and computer graphics 17 (12), 2479-2488, 2011
The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems
F Sterpone, S Melchionna, P Tuffery, S Pasquali, N Mousseau, ...
Chemical Society Reviews 43 (13), 4871-4893, 2014
A flexible high‐performance Lattice Boltzmann GPU code for the simulations of fluid flows in complex geometries
M Bernaschi, M Fatica, S Melchionna, S Succi, E Kaxiras
Concurrency and computation: practice and experience 22 (1), 1-14, 2010
Intermittent permeation of cylindrical nanopores by water
R Allen, S Melchionna, JP Hansen
Physical review letters 89 (17), 175502, 2002
MUPHY: A parallel MUlti PHYsics/scale code for high performance bio-fluidic simulations
M Bernaschi, S Melchionna, S Succi, M Fyta, E Kaxiras, JK Sircar
Computer Physics Communications 180 (9), 1495-1502, 2009
Electrostatic potential inside ionic solutions confined by dielectrics: a variational approach
R Allen, JP Hansen, S Melchionna
Physical Chemistry Chemical Physics 3 (19), 4177-4186, 2001
Multiscale coupling of molecular dynamics and hydrodynamics: application to DNA translocation through a nanopore
MG Fyta, S Melchionna, E Kaxiras, S Succi
Multiscale Modeling & Simulation 5 (4), 1156-1173, 2006
Molecular dynamics investigation of water permeation through nanopores
R Allen, JP Hansen, S Melchionna
The Journal of chemical physics 119 (7), 3905-3919, 2003
Hydrodynamic correlations in the translocation of a biopolymer through a nanopore: Theory and multiscale simulations
M Fyta, S Melchionna, S Succi, E Kaxiras
Physical review E 78 (3), 036704, 2008
Design of quasisymplectic propagators for Langevin dynamics
S Melchionna
The Journal of chemical physics 127 (4), 2007
Thermophilic proteins: insight and perspective from in silico experiments
F Sterpone, S Melchionna
Chemical Society Reviews 41 (5), 1665-1676, 2012
Prediction of coronary artery plaque progression and potential rupture from 320-detector row prospectively ECG-gated single heart beat CT angiography: Lattice Boltzmann …
FJ Rybicki, S Melchionna, D Mitsouras, AU Coskun, AG Whitmore, ...
The International Journal of Cardiovascular Imaging 25, 289-299, 2009
Protein simulations in fluids: Coupling the OPEP coarse-grained force field with hydrodynamics
F Sterpone, P Derreumaux, S Melchionna
Journal of chemical theory and computation 11 (4), 1843-1853, 2015
Size selectivity of narrow pores
D Goulding, JP Hansen, S Melchionna
Physical Review Letters 85 (5), 1132, 2000
Hydrokinetic approach to large-scale cardiovascular blood flow
S Melchionna, M Bernaschi, S Succi, E Kaxiras, FJ Rybicki, D Mitsouras, ...
Computer Physics Communications 181 (3), 462-472, 2010
The role of water coordination in binary mixtures. A study of two model amphiphilic molecules in aqueous solutions by molecular dynamics and NMR
R Sinibaldi, C Casieri, S Melchionna, G Onori, AL Segre, S Viel, ...
The Journal of Physical Chemistry B 110 (17), 8885-8892, 2006
Multiscale simulation of cardiovascular flows on the IBM Bluegene/P: Full heart-circulation system at red-blood cell resolution
A Peters, S Melchionna, E Kaxiras, J Lätt, J Sircar, M Bernaschi, M Bison, ...
SC'10: Proceedings of the 2010 ACM/IEEE International Conference for High …, 2010
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