User profiles for S. Baoukina

Svetlana Baoukina

University of Calgary
Verified email at ucalgary.ca
Cited by 3221

Computer simulation study of fullerene translocation through lipid membranes

J Wong-Ekkabut, S Baoukina, W Triampo… - Nature …, 2008 - nature.com
… cm s −1 at 300 K, higher than for water 30 and about two orders of magnitude lower than for
… cm 2 s −1 ) is in excellent agreement with experiment 31 . The bending modulus of the pure …

Martini straight: Boosting performance using a shorter cutoff and GPUs

DH De Jong, S Baoukina, HI Ingólfsson… - Computer Physics …, 2016 - Elsevier
… de Jong a , Svetlana Baoukina b , Helgi I. Ingólfsson c , Siewert J. Marrink c … Afterwards
total free energies are calculated using Bennet’s Acceptance Ratio (BAR) implemented in the …

The molecular mechanism of lipid monolayer collapse

S Baoukina, L Monticelli… - Proceedings of the …, 2008 - National Acad Sciences
… At the same time, the simulation shear rates (s ≈ 0.2–0.001 ns −1 ) are also much faster
than the typical shear rates used for experimental measurements (s ≈ 10–0.001 s −1 ). The …

Lipid nanoparticles containing siRNA synthesized by microfluidic mixing exhibit an electron-dense nanostructured core

AKK Leung, IM Hafez, S Baoukina… - The Journal of …, 2012 - ACS Publications
… Free induction decays (FID) corresponding to ∼10 4 scans were obtained with a 15 μs,
55 degree pulse with a 1 s interpulse delay and a spectral width of 64 kHz. An exponential …

[HTML][HTML] Computer simulations of lung surfactant

S Baoukina, DP Tieleman - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
… ) is determined from the difference between the normal, P N , and lateral, P L , pressures:(3)
γ = P N − P L ⋅ L z where L z is the box size in the direction normal to the interface(s), and P …

Pressure− area isotherm of a lipid monolayer from molecular dynamics simulations

S Baoukina, L Monticelli, SJ Marrink, DP Tieleman - Langmuir, 2007 - ACS Publications
We calculated the pressure−area isotherm of a dipalmitoyl-phosphatidylcholine (DPPC) lipid
monolayer from molecular dynamics simulations using a coarse-grained molecular model. …

Molecular view of phase coexistence in lipid monolayers

S Baoukina, E Mendez-Villuendas… - Journal of the American …, 2012 - ACS Publications
… 4 Pa s, as calculated in ref 56], L w is the thickness of the water slab in the simulations, and s
is … required to have an average chain order parameter, S z , larger than a selected cutoff. To …

Cholesterol flip-flop in heterogeneous membranes

RX Gu, S Baoukina, DP Tieleman - Journal of chemical theory …, 2019 - ACS Publications
… The same data analyses reveal flip-flop rates ranging from 0 to ∼2.5 × 10 4 s –1 at 290 K
as the local DOPC enrichment values increase, indicating the same influence of local …

[HTML][HTML] An elevated level of cholesterol impairs self-assembly of pulmonary surfactant into a functional film

Z Leonenko, S Gill, S Baoukina, L Monticelli… - Biophysical journal, 2007 - cell.com
In adult respiratory distress syndrome, the primary function of pulmonary surfactant to strongly
reduce the surface tension of the air-alveolar interface is impaired, resulting in diminished …

[PDF][PDF] The molecular mechanism of monolayer-bilayer transformations of lung surfactant from molecular dynamics simulations

S Baoukina, L Monticelli, M Amrein, DP Tieleman - Biophysical journal, 2007 - cell.com
The aqueous lining of the lung surface exposed to the air is covered by lung surfactant, a
film consisting of lipid and protein components. The main function of lung surfactant is to …