Mario Orsi
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The ELBA force field for coarse-grain modeling of lipid membranes
M Orsi, JW Essex
PloS one 6 (12), e28637, 2011
A quantitative coarse-grain model for lipid bilayers
M Orsi, DY Haubertin, WE Sanderson, JW Essex
The Journal of Physical Chemistry B 112 (3), 802-815, 2008
Permeability of small molecules through a lipid bilayer: a multiscale simulation study
M Orsi, WE Sanderson, JW Essex
The Journal of Physical Chemistry B 113 (35), 12019-12029, 2009
Permeability of drugs and hormones through a lipid bilayer: Insights from dual-resolution molecular dynamics
M Orsi, JW Essex
Soft Matter 6 (16), 3797-3808, 2010
Anisotropic elastic network modeling of entire microtubules
MA Deriu, M Soncini, M Orsi, M Patel, JW Essex, FM Montevecchi, ...
Biophysical journal 99 (7), 2190-2199, 2010
Prediction of partition coefficients by multiscale hybrid atomic-level/coarse-grain simulations
J Michel, M Orsi, JW Essex
The Journal of Physical Chemistry B 112 (3), 657-660, 2008
Coarse-grain modelling of DMPC and DOPC lipid bilayers
M Orsi, J Michel, JW Essex
Journal of Physics: Condensed Matter 22, 155106, 2010
Comparative assessment of the ELBA coarse-grained model for water
M Orsi
Molecular Physics 112 (11), 1566-1576, 2014
Physical properties of mixed bilayers containing lamellar and nonlamellar lipids: insights from coarse-grain molecular dynamics simulations
M Orsi, JW Essex
Faraday Discussions 161, 249-272, 2013
Dual-resolution molecular dynamics simulation of antimicrobials in biomembranes
M Orsi, MG Noro, JW Essex
Journal of The Royal Society Interface 8 (59), 826-841, 2011
Molecular dynamics simulation of humic substances
M Orsi
Chemical and Biological Technologies in Agriculture 1 (1), 10, 2014
Effects of lipid composition on bilayer membranes quantified by all-atom molecular dynamics
W Ding, M Palaiokostas, W Wang, M Orsi
The journal of physical chemistry B 119 (49), 15263-15274, 2015
Direct mixing of atomistic solutes and coarse-grained water
M Orsi, W Ding, M Palaiokostas
Journal of chemical theory and computation 10 (10), 4684-4693, 2014
Passive permeation across lipid bilayers: a literature review
M Orsi, JW Essex
Molecular simulations and biomembranes: from biophysics to function, 76-90, 2010
Mechanical response and conformational changes of alpha-actinin domains during unfolding: a molecular dynamics study
M Soncini, S Vesentini, D Ruffoni, M Orsi, MA Deriu, A Redaelli
Biomechanics and modeling in mechanobiology 6 (6), 399-407, 2007
Molecular simulations and biomembranes: from biophysics to function
MSP Sansom, PC Biggin
Royal Society of Chemistry, 2010
Stress testing the ELBA water model
W Ding, M Palaiokostas, M Orsi
Molecular Simulation 42 (4), 337-346, 2016
Effects of lipid composition on membrane permeation
M Palaiokostas, W Ding, G Shahane, M Orsi
Soft Matter 14 (42), 8496-8508, 2018
Physical properties of model biological lipid bilayers: insights from all-atom molecular dynamics simulations
G Shahane, W Ding, M Palaiokostas, M Orsi
Journal of molecular modeling 25 (3), 76, 2019
Effects of high pressure on phospholipid bilayers
W Ding, M Palaiokostas, G Shahane, W Wang, M Orsi
The Journal of Physical Chemistry B 121 (41), 9597-9606, 2017
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