[HTML][HTML] Computer simulations of lung surfactant

S Baoukina, DP Tieleman - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
Lung surfactant lines the gas-exchange interface in the lungs and reduces the surface
tension, which is necessary for breathing. Lung surfactant consists mainly of lipids with a …

Comprehensive Study of the Liquid Expanded–Liquid Condensed Phase Transition in 1,2-Dimyristoyl-sn-glycero-3-phospho-l-serine Monolayers: Surface Pressure …

YA Ermakov, VE Asadchikov, BS Roschin, YO Volkov… - Langmuir, 2019 - ACS Publications
An integrated approach is applied to reveal fine changes in the surface-normal structure of
1, 2-dimyristoyl-sn-glycero-3-phospho-l-serine (DMPS) monolayers at the air–lipid–water …

Testing the limits of model membrane simulations—bilayer composition and pressure scaling

N Ivanova, A Ivanova - Journal of Computational Chemistry, 2018 - Wiley Online Library
Studying transfer of bioactive compounds across cell membranes by simulations attracts
growing attention. To perform such calculations accurately, it is necessary to verify the …

Atomistic Potentials for Trisiloxane, Alkyl Ethoxylate, and Perfluoroalkane-Based Surfactants with TIP4P/2005 and Application to Simulations at the Air–Water Interface

RE Isele-Holder, AE Ismail - The Journal of Physical Chemistry B, 2014 - ACS Publications
The mechanism of superspreading, the greatly enhanced spreading of water droplets
facilitated by trisiloxane surfactants, is still under debate, largely because the role and …

Structural aspects of lipid monolayers: Computer simulation analyses

P Shushkov, S Tzvetanov, M Velinova, A Ivanova… - Langmuir, 2010 - ACS Publications
Extensive molecular dynamics simulations at room temperature were carried out for model
films of two dissimilar lipids (DPPC and dicaprin) at the air/water interface. To study the …

Υπολογιστική μοντελοποίηση μοριακής δυναμικής ενός μονοστρώματος λιπιδίων. Η περίπτωση του επιφανειοδραστικού μονοστρώματος μιας πνευμονικής κυψελίδας.

Μ Παλαιοκώστας Αβραμίδης - 2013 - dspace.uowm.gr
Το Πνευμονικό Επιφανειοδραστικό Μονόστρωμα (Alveolar Surfactant Monolayer) που
βρίσκεται στις πνευμονικές κυψελίδες (Alveoli), είναι ένα πολύ σημαντικό συστατικό για την …