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Exploring ligand recognition and ion flow in comparative models of the human GABA type A receptor.

Abstract:

We present two comparative models of the GABA(A) receptor. Model 1 is based on the 4-A resolution structure of the nicotinic acetylcholine receptor from Torpedo marmorata and represents the unliganded receptor. Two agonists, GABA and muscimol, two benzodiazepines, flunitrazepam and alprazolam, together with the general anaesthetic halothane, have been docked to this model. The ion flow is also explored in model 1 by evaluating the interaction energy of a chloride ion as it traverses the extra...

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Publication status:
Published

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Publisher copy:
10.1016/j.jmgm.2007.04.012

Authors


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Institution:
University of Oxford
Department:
Oxford, MPLS, Physics
Mizuguchi, K More by this author
Todorov, NP More by this author
Martin, IL More by this author
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Journal:
Journal of molecular graphics and modelling
Volume:
26
Issue:
4
Pages:
760-774
Publication date:
2007-11-05
DOI:
EISSN:
1873-4243
ISSN:
1093-3263
URN:
uuid:24d85e92-6e8d-4b63-832a-a549e35f0371
Source identifiers:
154248
Local pid:
pubs:154248

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