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Journal article

Using the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactions

Abstract:

The understanding of binding interactions between any protein and a small molecule plays a key role in the rationalization of affinity and selectivity and is essential for an efficient structure-based drug discovery (SBDD) process. Clearly, to begin SBDD, a structure is needed, and although there has been fantastic progress in solving G-protein-coupled receptor (GPCR) crystal structures, the process remains quite slow and is not currently feasible for every GPCR or GPCR-ligand complex. This s...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

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Publisher copy:
10.1042/BST20150250

Authors


Heifetz, A More by this author
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Institution:
University of Oxford
Department:
Oxford, MSD, Biochemistry
Chudyk, EI More by this author
Fedorov, DG More by this author
Bodkin, MJ More by this author
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Funding agency for:
Aldeghi, M
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Publisher:
Portland Press Publisher's website
Journal:
Biochemical Society transactions Journal website
Volume:
44
Issue:
2
Pages:
574-581
Publication date:
2016-04-11
DOI:
EISSN:
1470-8752
ISSN:
0300-5127
URN:
uuid:1e8dcc02-8ad2-4314-9263-783697808b79
Source identifiers:
616721
Local pid:
pubs:616721

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