FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2776025542> ?p ?o ?g. }

• W2776025542 endingPage "47" @default.
• W2776025542 startingPage "38" @default.
• W2776025542 abstract "GPCR crystal structures have become more readily accessible in recent years. However, homology models of GPCRs continue to play an important role as many GPCR structures remain unsolved. The new crystal structures now available provide not only additional templates for homology modelling but also the opportunity to assess the performance of homology models against their respective crystal structures and gain insight into the performance of such models. In this study we have constructed homology models from templates of various transmembrane sequence identities for eight GPCR targets to better understand the relationship between transmembrane sequence identity and model quality. Model quality was assessed relative to the crystal structure in terms of structural accuracy as well as performance in two typical structure-based drug design applications: ligand binding pose prediction and docking enrichment in virtual screening. Crystal structures significantly outperformed homology models in both assessments. Accurate ligand binding pose prediction was possible but difficult to achieve using homology models, even with the use of induced fit docking. In virtual screening using homology models still conferred significant enrichment compared to random selection, with a clear benefit also observed in using models optimized through induced fit docking. Our results indicate that while homology models that are reasonably accurate structurally can be constructed, without significant refinement homology models will be outperformed by crystal structures in ligand binding pose prediction and docking enrichment regardless of the template used, primarily due to the extremely high level of structural accuracy needed for such applications." @default.
• W2776025542 created "2018-01-05" @default.
• W2776025542 creator A5031012561 @default.
• W2776025542 creator A5058354461 @default.
• W2776025542 creator A5064734538 @default.
• W2776025542 creator A5064914354 @default.
• W2776025542 creator A5074628634 @default.
• W2776025542 date "2018-03-01" @default.
• W2776025542 modified "2023-10-03" @default.
• W2776025542 title "Assessing GPCR homology models constructed from templates of various transmembrane sequence identities: Binding mode prediction and docking enrichment" @default.
• W2776025542 cites W1825353903 @default.
• W2776025542 cites W1833104430 @default.
• W2776025542 cites W1968319881 @default.
• W2776025542 cites W1972602111 @default.
• W2776025542 cites W1973228989 @default.
• W2776025542 cites W1974734322 @default.
• W2776025542 cites W1975691556 @default.
• W2776025542 cites W1975875968 @default.
• W2776025542 cites W1982498753 @default.
• W2776025542 cites W1983371169 @default.
• W2776025542 cites W1984030577 @default.
• W2776025542 cites W1985588649 @default.
• W2776025542 cites W1988097700 @default.
• W2776025542 cites W1989497142 @default.
• W2776025542 cites W1999076037 @default.
• W2776025542 cites W2011522291 @default.
• W2776025542 cites W2021750784 @default.
• W2776025542 cites W2034266737 @default.
• W2776025542 cites W2043636502 @default.
• W2776025542 cites W2047567287 @default.
• W2776025542 cites W2048718061 @default.
• W2776025542 cites W2050366220 @default.
• W2776025542 cites W2058835307 @default.
• W2776025542 cites W2063273962 @default.
• W2776025542 cites W2065283382 @default.
• W2776025542 cites W2083394907 @default.
• W2776025542 cites W2093615982 @default.
• W2776025542 cites W2100201978 @default.
• W2776025542 cites W2117505956 @default.
• W2776025542 cites W2120772351 @default.
• W2776025542 cites W2120898782 @default.
• W2776025542 cites W2121895929 @default.
• W2776025542 cites W2130479394 @default.
• W2776025542 cites W2149963584 @default.
• W2776025542 cites W2163394542 @default.
• W2776025542 cites W2167086539 @default.
• W2776025542 cites W2170471837 @default.
• W2776025542 cites W2208175234 @default.
• W2776025542 cites W2422751523 @default.
• W2776025542 cites W2529629629 @default.
• W2776025542 cites W2739999456 @default.
• W2776025542 cites W38732814 @default.
• W2776025542 cites W4256118173 @default.
• W2776025542 doi "https://doi.org/10.1016/j.jmgm.2017.12.017" @default.
• W2776025542 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29306746" @default.
• W2776025542 hasPublicationYear "2018" @default.
• W2776025542 type Work @default.
• W2776025542 sameAs 2776025542 @default.
• W2776025542 citedByCount "19" @default.
• W2776025542 countsByYear W27760255422018 @default.
• W2776025542 countsByYear W27760255422019 @default.
• W2776025542 countsByYear W27760255422020 @default.
• W2776025542 countsByYear W27760255422021 @default.
• W2776025542 countsByYear W27760255422022 @default.
• W2776025542 crossrefType "journal-article" @default.
• W2776025542 hasAuthorship W2776025542A5031012561 @default.
• W2776025542 hasAuthorship W2776025542A5058354461 @default.
• W2776025542 hasAuthorship W2776025542A5064734538 @default.
• W2776025542 hasAuthorship W2776025542A5064914354 @default.
• W2776025542 hasAuthorship W2776025542A5074628634 @default.
• W2776025542 hasConcept C103697762 @default.
• W2776025542 hasConcept C135285700 @default.
• W2776025542 hasConcept C159110408 @default.
• W2776025542 hasConcept C165525559 @default.
• W2776025542 hasConcept C169627665 @default.
• W2776025542 hasConcept C170493617 @default.
• W2776025542 hasConcept C181199279 @default.
• W2776025542 hasConcept C186060115 @default.
• W2776025542 hasConcept C199360897 @default.
• W2776025542 hasConcept C41008148 @default.
• W2776025542 hasConcept C41685203 @default.
• W2776025542 hasConcept C515207424 @default.
• W2776025542 hasConcept C55493867 @default.
• W2776025542 hasConcept C60644358 @default.
• W2776025542 hasConcept C70721500 @default.
• W2776025542 hasConcept C71924100 @default.
• W2776025542 hasConcept C74187038 @default.
• W2776025542 hasConcept C82714645 @default.
• W2776025542 hasConcept C86803240 @default.
• W2776025542 hasConceptScore W2776025542C103697762 @default.
• W2776025542 hasConceptScore W2776025542C135285700 @default.
• W2776025542 hasConceptScore W2776025542C159110408 @default.
• W2776025542 hasConceptScore W2776025542C165525559 @default.
• W2776025542 hasConceptScore W2776025542C169627665 @default.
• W2776025542 hasConceptScore W2776025542C170493617 @default.
• W2776025542 hasConceptScore W2776025542C181199279 @default.
• W2776025542 hasConceptScore W2776025542C186060115 @default.
• W2776025542 hasConceptScore W2776025542C199360897 @default.

• next