Probing interactions between uranyl ions and lipid membrane by molecular dynamics simulation

2011 ◽  
Vol 976 (1-3) ◽  
pp. 130-134 ◽  
Author(s):  
Ying-Wu Lin ◽  
Li-Fu Liao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Lipid Membrane ◽  
Dynamics Simulation ◽  
Uranyl Ions

Molecular dynamics simulation study of distribution and dynamics of aqueous solutions of uranyl ions: the effect of varying temperature and concentration

2015 ◽  
Vol 17 (41) ◽  
pp. 27840-27850 ◽  
Author(s):  
Manish Chopra ◽  
Niharendu Choudhury
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aqueous Solutions ◽  
Molecular Dynamics Simulations ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Uranyl Ions ◽  
Orientational Distribution ◽  
Dynamics Simulations

Orientational distribution and dynamics of aqueous solutions of uranyl ions are studied at different concentrations and temperatures using molecular dynamics simulations.

MOLECULAR DYNAMICS SIMULATION OF POPC AND POPE LIPID MEMBRANE BILAYERS ENFORCED BY AN INTERCALATED SINGLE-WALL CARBON NANOTUBE

NANO ◽  
2011 ◽  
Vol 06 (01) ◽  
pp. 19-29 ◽  
Author(s):  
SERGEY SHITYAKOV ◽  
THOMAS DANDEKAR
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Root Mean Square ◽  
Lipid Membrane ◽  
Dynamics Simulation ◽  
Mean Square ◽  
Single Wall Carbon Nanotube ◽  
Single Wall Carbon ◽  
Membrane Bilayers

Using classical all-atom molecular dynamics simulation, we investigated the molecular dynamics of palmitoyloleoylphosphatidylcholine and palmitoyloleoylphosphatidylethanolamine membrane bilayers enforced by a single-wall carbon nanotube. We postulated that an insertion of a single-wall carbon nanotube in the center of lipid membrane "strengthens" ambient lipids and prevents the whole system from further destabilization by high temperatures. We implemented root mean square deviation and root mean square fluctuation analyses of simulated structures from their initial states in order to emphasize the molecular dynamics behavior of these structures during 1000 ps simulation time at different temperatures. The data suggest that an intercalated carbon nanotube restrains the conformational freedom of adjacent lipids and hence has an impact on the membrane stabilization dynamics. On the other hand, different lipid membranes may have dissimilarities due to the differing abilities to create a bridge formation between the adherent lipid molecules. The results derived from this work may be of importance in developing stable nanosystems for construction of novel biomaterials and delivery of various biomolecules in the fields of biosensors, biomaterials, and biophysics.

Insights into the human A1 adenosine receptor from molecular dynamics simulation: structural study in the presence of lipid membrane

2015 ◽  
Vol 24 (10) ◽  
pp. 3645-3659 ◽  
Author(s):  
Mahboubeh Mansourian ◽  
Karim Mahnam ◽  
Armin Madadkar-Sobhani ◽  
Afshin Fassihi ◽  
Lotfollah Saghaie
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Study ◽  
Adenosine Receptor ◽  
Lipid Membrane ◽  
Dynamics Simulation ◽  
A1 Adenosine Receptor

Interaction of Graphene and its Oxide with Lipid Membrane: A Molecular Dynamics Simulation Study

2016 ◽  
Vol 120 (11) ◽  
pp. 6225-6231 ◽  
Author(s):  
Junlang Chen ◽  
Guoquan Zhou ◽  
Liang Chen ◽  
Yu Wang ◽  
Xiaogang Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Lipid Membrane ◽  
Dynamics Simulation
Sign in / Sign up

Export Citation Format

Share Document