Ion Permeation through Membrane Channels: Molecular Dynamics Simulations Studies

Ion Permeation through Membrane Channels: Molecular Dynamics Simulations Studies

Molecular dynamics simulation was used to study ion permeation through different membrane proteins embedded in a lipid bilayer (DMPC) with different saline solutions. The potential of mean force (PMF) for ion transport was obtained by umbrella sampling simulations. A revised MacKerell force field fo...

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Bibliographic Details
Main Author: Mustafa, Morad
Format: Others
Published: BYU ScholarsArchive 2008
Subjects:
Membrane protein
Potential of mean force
Highly occupied site
Independent transport coordinate
Relative transport coordinate
Torsion angles
CMAP
Sulfonate parametrization
Internal resistance
Water layering
Shuttle-shutter mechanism
Influenza A virus
Biochemistry
Chemistry
Online Access:https://scholarsarchive.byu.edu/etd/1765
https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=2764&context=etd

Internet

https://scholarsarchive.byu.edu/etd/1765
https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=2764&context=etd

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