Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008.
Show others and affiliations
2009 (English)In: Nature reviews. Drug discovery, ISSN 1474-1784, Vol. 8, no 6, 455-63 p.Article in journal (Refereed) Published
Abstract [en]

Recent breakthroughs in the determination of the crystal structures of G protein-coupled receptors (GPCRs) have provided new opportunities for structure-based drug design strategies targeting this protein family. With the aim of evaluating the current status of GPCR structure prediction and ligand docking, a community-wide, blind prediction assessment - GPCR Dock 2008 - was conducted in coordination with the publication of the crystal structure of the human adenosine A(2A) receptor bound to the ligand ZM241385. Twenty-nine groups submitted 206 structural models before the release of the experimental structure, which were evaluated for the accuracy of the ligand binding mode and the overall receptor model compared with the crystal structure. This analysis highlights important aspects for success and future development, such as accurate modelling of structurally divergent regions and use of additional biochemical insight such as disulphide bridges in the extracellular loops.

Place, publisher, year, edition, pages
2009. Vol. 8, no 6, 455-63 p.
Identifiers
URN: urn:nbn:se:su:diva-35812DOI: 10.1038/nrd2877PubMedID: 19461661OAI: oai:DiVA.org:su-35812DiVA: diva2:288083
Note
Arne Elofsson at the Dept. of Biochemistry and Biophysics is a coauthorAvailable from: 2010-01-20 Created: 2010-01-20 Last updated: 2010-01-20

Open Access in DiVA

No full text

Other links

Publisher's full textPubMed

Search outside of DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetric score

doi
pubmed
urn-nbn
Total: 22 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf