dc.contributor.author
Worth, Catherine L.
dc.contributor.author
Kreuchwig, Franziska
dc.contributor.author
Tiemann, Johanna K. S.
dc.contributor.author
Kreuchwig, Annika
dc.contributor.author
Ritschel, Michele
dc.contributor.author
Kleinau, Gunnar
dc.contributor.author
Hildebrand, Peter W.
dc.contributor.author
Krause, Gerd
dc.date.accessioned
2018-06-08T10:36:07Z
dc.date.available
2017-09-01T09:06:00.367Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/20722
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-24021
dc.description.abstract
G-protein coupled receptors (GPCRs) are key players in signal transduction and
therefore a large proportion of pharmaceutical drugs target these receptors.
Structural data of GPCRs are sparse yet important for elucidating the
molecular basis of GPCR-related diseases and for performing structure-based
drug design. To ameliorate this problem, GPCR-SSFE 2.0 (http://www.ssfa-
7tmr.de/ssfe2/), an intuitive web server dedicated to providing three-
dimensional Class A GPCR homology models has been developed. The updated web
server includes 27 inactive template structures and incorporates various new
functionalities. Uniquely, it uses a fingerprint correlation scoring strategy
for identifying the optimal templates, which we demonstrate captures
structural features that sequence similarity alone is unable to do. Template
selection is carried out separately for each helix, allowing both single-
template models and fragment-based models to be built. Additionally, GPCR-SSFE
2.0 stores a comprehensive set of pre-calculated and downloadable homology
models and also incorporates interactive loop modeling using the tool SL2,
allowing knowledge-based input by the user to guide the selection process. For
visual analysis, the NGL viewer is embedded into the result pages. Finally,
blind-testing using two recently published structures shows that GPCR-SSFE 2.0
performs comparably or better than other state-of-the art GPCR modeling web
servers.
en
dc.rights.uri
http://creativecommons.org/licenses/by-nc/4.0/
dc.subject
helix (snails)
dc.subject
g-protein-coupled receptors
dc.subject.ddc
600 Technik, Medizin, angewandte Wissenschaften::610 Medizin und Gesundheit
dc.title
GPCR-SSFE 2.0—a fragment-based molecular modeling web tool for Class A
G-protein coupled receptors
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation
Nucleic Acids Research. - 45 (2017), W1, S. W408–W415
dcterms.bibliographicCitation.doi
10.1093/nar/gkx399
dcterms.bibliographicCitation.url
http://doi.org/10.1093/nar/gkx399
refubium.affiliation
Charité - Universitätsmedizin Berlin
de
refubium.mycore.fudocsId
FUDOCS_document_000000027763
refubium.note.author
Der Artikel wurde in einer reinen Open-Access-Zeitschrift publiziert.
refubium.resourceType.isindependentpub
no
refubium.mycore.derivateId
FUDOCS_derivate_000000008682
dcterms.accessRights.openaire
open access