Difference between revisions of "Marcello Sega"
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== Publications == | == Publications == | ||
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Revision as of 18:00, 26 January 2012
Dr. Marcello Sega
Postdoc
Postdoc
Office: | 201 |
---|---|
Phone: | +49 711 685-67609 |
Fax: | +49 711 685-63658 |
Email: | sega _at_ icp.uni-stuttgart.de |
Address: | Dr. Marcello Sega Institute for Computational Physics Universität Stuttgart Allmandring 3 70569 Stuttgart Germany |
Publications
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M. Sega and P. Jedlovszky and N. N. Medvedev and R. Vallauri.
"Free volume properties of a linear soft polymer: A computer simulation study".
The Journal of Chemical Physics 121(2422), 2004.
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M. Sega and R. Vallauri and P. Brocca and S. Melchionna.
"Molecular Dynamics Simulation of a GM3 Ganglioside Bilayer.".
Journal of Physical Chemistry B 108(52)(20322), 2004.
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M. Sega and R. Vallauri and S. Melchionna.
"Diffusion of water in confined geometry: The case of a multilamellar bilayer".
Physical Review E 72(4)(41201), 2005.
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P. Faccioli and M. Sega and F. Pederiva and H. Orland.
"Dominant pathways in protein folding.".
Physical Review Letters 97(10)(108101), 2006.
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M. Sega and P. Jedlovszky and R. Vallauri.
"Molecular dynamics simulation of GM1 gangliosides embedded in a phospholipid membrane".
Journal of Molecular Liquids 129(1-2)(86), 2006.
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G. Garberoglio and M. Sega and R. Vallauri.
"Inhomogeneity effects on the structure and dynamics of water at the surface of a membrane: A computer simulation study".
The Journal of Chemical Physics 126(125103), 2007.
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L. B. Partay and P. Jedlovszky and M. Sega.
"Molecular Aggregates in Aqueous Solutions of Bile Acid Salts. Molecular Dynamics Simulation Study".
Journal of Physical Chemistry B 111(33)(9886–9896), 2007.
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L. B. Partay and M. Sega and P. Jedlovszky.
"Morphology of Bile Salt Micelles as Studied by Computer Simulation Methods.".
Langmuir 24(12322), 2007.
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M. Sega and G. Garberoglio and P. Brocca and L. Cantu.
"Microscopic Structure of Phospholipid Bilayers: Comparison between Molecular Dynamics Simulations and Wide-Angle X-ray Spectra".
Journal of Physical Chemistry B 111(10)(2484), 2007.
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M. Sega and R. Vallauri and P. Brocca and L. Cantú and S. Melchionna.
"Short-Range Structure of a GM3 Ganglioside Membrane: Comparison between Experimental WAXS and Computer Simulation Results".
Journal of Physical Chemistry B 111(37)(10965), 2007.
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M. Sega and P. Faccioli and F. Pederiva and G. Garberoglio and H. Orland.
"Quantitative Protein Dynamics from Dominant Folding Pathways".
Physical Review Letters 99(11)(118102), 2007.
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P. Faccioli and M. Sega and F. Pederiva and H. Orland.
"Stochastic dynamics and dominant protein folding pathways".
Philosophical Magazine 88(33-35)(4093–4099), 2008.
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L. B. Pártay and M. Sega and P. Jedlovszky.
"Counterion binding in the aqueous solutions of bile acid salts, as studied by computer simulation methods".
Langmuir 24(19)(10729–10736), 2008.
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L. B. Pártay and M. Sega and P. Jedlovszky.
"A Two-step Aggregation Scheme of Bile Acid Salts, as Seen From Computer Simulations".
Colloids for Nano-and Biotechnology (181–187), 2008.
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Smiatek, Jens and Sega, Marcello and Holm, Christian and Schiller, Ulf D. and Schmid, Friederike.
"Mesoscopic simulations of the counterion-induced electro-osmotic flow: A comparative study".
The Journal of Chemical Physics 130(244702), 2009.
[PDF] (370 KB) [DOI] -
Mehmet Süzen and Marcello Sega and Christian Holm.
"Ensemble inequivalence in single-molecule-experiments".
Physical Review E 79(051118), 2009.
[PDF] (269 KB) [DOI] -
E. Autieri and P. Faccioli and M. Sega and F. Pederiva and H. Orland.
"Dominant reaction pathways in high-dimensional systems".
The Journal of Chemical Physics 130(064106), 2009.
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M. Sega and E. Autieri and F. Pederiva.
"On the calculation of puckering free energy surfaces".
The Journal of Chemical Physics 130(225102), 2009.
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Sandeep Tyagi and Mehmet Süzen and Marcello Sega and Marcia C. Barbosa and Sofia S. Kantorovich and Christian Holm.
"An iterative, fast, linear-scaling method for computing induced charges on arbitrary dielectric boundaries".
The Journal of Chemical Physics 132(154112), 2010.
[PDF] (267 KB) [DOI] - Entry "tyagi10aa" not found!
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E. Autieri and M. Sega and F. Pederiva and G. Guella.
"Puckering free energy of pyranoses: A NMR and metadynamics-umbrella sampling investigation".
The Journal of Chemical Physics 133(095104), 2010.
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Stefan Kesselheim and Marcello Sega and Christian Holm.
"Applying ICC* to DNA translocation. Effect of dielectric boundaries".
Computer Physics Communications 182(1)(33–35), 2011.
[PDF] (197 KB) -
Baofu Qiao and Marcello Sega and Christian Holm.
"An atomistic study of a poly(styrene sulfonate)/poly(diallyldimethylammonium) bilayer: the role of surface properties and charge reversal".
Physical Chemistry Chemical Physics 13(16336–16342), 2011.
[PDF] (5 MB) [DOI] -
E. Autieri and E. Chiessi and A. Lonardi and G. Paradossi and M. Sega.
"Conformation and dynamics of poly (N-isopropyl acrylamide) trimers in water: A molecular dynamics and metadynamics simulation study".
Journal of Physical Chemistry B , 2011.
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E. Autieri and M. Sega and F. Pederiva and G. Guella.
"Erratum: Puckering free energy of pyranoses: An NMR and metadynamics–umbrella sampling investigation [J. Chem. Phys. 133, 095104 (2010)]".
The Journal of Chemical Physics 134(149901), 2011.
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M. Sega and E. Autieri and F. Pederiva.
"Pickett angles and Cremer–Pople coordinates as collective variables for the enhanced sampling of six-membered ring conformations".
Molecular Physics 109(1)(141–148), 2011.