scholarly journals Investigating the Effect of Cancer-Related Mutations on the Structure and Function of Integrin αVβ3 Heterodimers through Molecular Dynamics Simulations

2018 ◽  
Vol 114 (3) ◽  
pp. 579a
Author(s):  
Rey Kristoffer V. Salinas ◽  
Raphael D. Caballes ◽  
Andre Rhey C. Haro ◽  
Neil Andrew D. Bascos
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Integrin Αvβ3 ◽  
Structure And Function ◽  
Dynamics Simulations ◽  
And Function

The Fats of Life: Using Computational Chemistry to Characterise the Eukaryotic Cell Membrane

2020 ◽  
Vol 73 (3) ◽  
pp. 85 ◽  
Author(s):  
Katie A. Wilson ◽  
Lily Wang ◽  
Hugo MacDermott-Opeskin ◽  
Megan L. O'Mara
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Current Knowledge ◽  
Computational Modelling ◽  
Eukaryotic Cell ◽  
Computational Techniques ◽  
Lipid Species ◽  
Dynamics Simulations ◽  
And Function

Our current knowledge of the structural dynamics and complexity of lipid bilayers is still developing. Computational techniques, especially molecular dynamics simulations, have increased our understanding significantly as they allow us to model functions that cannot currently be experimentally resolved. Here we review available computational tools and techniques, the role of the major lipid species, insights gained into lipid bilayer structure and function from molecular dynamics simulations, and recent progress towards the computational modelling of the physiological complexity of eukaryotic lipid bilayers.

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