Molecular Dynamics Simulations of Phospholipid Membranes and Their Interaction with Phospholipase A2

1992 ◽  
pp. 457-470 ◽  
Author(s):  
Herman J. C. Berendsen ◽  
Bert Egberts ◽  
Siewert-Jan Marrink ◽  
Peter Ahlström
Keyword(s):  
Molecular Dynamics ◽  
Phospholipase A2 ◽  
Molecular Dynamics Simulations ◽  
Phospholipid Membranes ◽  
Dynamics Simulations

scholarly journals The interaction of supramolecular anticancer drug amphiphiles with phospholipid membranes

2021 ◽  
Author(s):  
Phu K. Tang ◽  
Anjela Manandhar ◽  
William Hu ◽  
Myungshim Kang ◽  
Sharon M. Loverde
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Anticancer Drug ◽  
Phospholipid Membranes ◽  
Delivery Vehicle ◽  
Membrane Interaction ◽  
Drug Delivery Vehicle ◽  
Probe Drug ◽  
Dynamics Simulations

Molecular dynamics simulations probe drug delivery vehicle-membrane interaction.

Effect of heavy water on phospholipid membranes: experimental confirmation of molecular dynamics simulations

2012 ◽  
Vol 14 (42) ◽  
pp. 14516 ◽  
Author(s):  
Lenka Beranová ◽  
Jana Humpolíčková ◽  
Jan Sýkora ◽  
Aleš Benda ◽  
Lukasz Cwiklik ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Heavy Water ◽  
Experimental Confirmation ◽  
Phospholipid Membranes ◽  
Dynamics Simulations

Adsorption of Synthetic Cationic Polymers on Model Phospholipid Membranes: Insight from Atomic-Scale Molecular Dynamics Simulations

Langmuir ◽  
2016 ◽  
Vol 32 (40) ◽  
pp. 10402-10414 ◽  
Author(s):  
Andrei Yu. Kostritskii ◽  
Diana A. Kondinskaia ◽  
Alexey M. Nesterenko ◽  
Andrey A. Gurtovenko
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Atomic Scale ◽  
Phospholipid Membranes ◽  
Cationic Polymers ◽  
Dynamics Simulations

Aggregation of Oligoarginines at Phospholipid Membranes: Molecular Dynamics Simulations, Time-Dependent Fluorescence Shift, and Biomimetic Colorimetric Assays

2013 ◽  
Vol 117 (39) ◽  
pp. 11530-11540 ◽  
Author(s):  
Mario Vazdar ◽  
Erik Wernersson ◽  
Morteza Khabiri ◽  
Lukasz Cwiklik ◽  
Piotr Jurkiewicz ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Time Dependent ◽  
Phospholipid Membranes ◽  
Colorimetric Assays ◽  
Dynamics Simulations

scholarly journals Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty

Sensors ◽  
2021 ◽  
Vol 21 (21) ◽  
pp. 7011
Author(s):  
Przemysław Raczyński ◽  
Krzysztof Górny ◽  
Piotr Bełdowski ◽  
Steven Yuvan ◽  
Beata Marciniak ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Silicon Carbide ◽  
Molecular Dynamics Simulations ◽  
Lipid Membrane ◽  
Biological Membranes ◽  
Steered Molecular Dynamics ◽  
Phospholipid Membranes ◽  
Silicon Carbide Nanotubes ◽  
Dynamics Simulations ◽  
The Impact

Due to the semi-liquid nature and uneven morphologies of biological membranes, indentation may occur in a range of non-ideal conditions. These conditions are relatively unstudied and may alter the physical characteristics of the process. One of the basic challenges in the construction of nanoindenters is to appropriately align the nanotube tip and approach the membrane at a perpendicular angle. To investigate the impact of deviations from this ideal, we performed non-equilibrium steered molecular dynamics simulations of the indentation of phospholipid membranes by homogeneous CNT and non-homogeneous SiCNT indenters. We used various angles, rates, and modes of indentation, and the withdrawal of the relative indenter out of the membrane in corresponding conditions was simulated.

scholarly journals Development of a potent 2-oxoamide inhibitor of secreted phospholipase A2 guided by molecular docking calculations and molecular dynamics simulations

2016 ◽  
Vol 24 (8) ◽  
pp. 1683-1695 ◽  
Author(s):  
Sofia Vasilakaki ◽  
Efrosini Barbayianni ◽  
Georgios Leonis ◽  
Manthos G. Papadopoulos ◽  
Thomas Mavromoustakos ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Phospholipase A2 ◽  
Molecular Dynamics Simulations ◽  
Secreted Phospholipase A2 ◽  
Docking Calculations ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document