Name
Title | ||
|---|---|---|
Computational prediction of ion permeation characteristics in the glycine receptor modified by photo-sensitive compounds. |
Abstract | ||
|---|---|---|
We conduct computational analyses of ion permeation characteristics in a model glycine receptor (GlyR) modified by photo-sensitive
compounds. In particular, we consider hypothetical attachment to the channel of charge-neutral chemical groups which can be
photo-activated by shining light of an appropriate wavelength on the system. After illumination, the attached molecules become
charged via a photodissociation process or excited into a charge-separated state (thus generating a significant electric dipole).
We carry out Brownian Dynamics simulations of ion flow through the channel in the presence of the additional charges generated
in this fashion. Based on these calculations, we predict that photo-activation of appropriately positioned photo-sensitive
compounds near the channel mouth can significantly modify the rate of ion permeation and the current rectification ratio.
Possible implications for GlyR-based device designs are briefly discussed. |
Year | DOI | Venue |
|---|---|---|
2008 | 10.1007/s10822-008-9200-0 | Journal of computer-aided molecular design |
Keywords | Field | DocType |
Engineering glycine receptor,Brownian dynamics,Computational modeling,Ion permeation,Photo-sensitive compound | Molecule,Computational chemistry,Chemistry,Brownian dynamics,Photodissociation,Permeation,Static electricity,Glycine receptor,Ion,Dipole | Journal |
Volume | Issue | ISSN |
22 | 8 | 0920-654X |
Citations | PageRank | References |
0 | 0.34 | 0 |
Authors | ||
4 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Mary Hongying Cheng | 1 | 9 | 1.51 |
| Robert D. Coalson | 2 | 0 | 0.34 |
| Michael Cascio | 3 | 0 | 0.68 |
| Maria Kurnikova | 4 | 10 | 1.33 |