FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2016070039> ?p ?o ?g. }

• W2016070039 endingPage "1221" @default.
• W2016070039 startingPage "1220" @default.
• W2016070039 abstract "A biased-potential molecular dynamics simulation method, accelerated molecular dynamics (AMD), was combined with the chemical shift prediction algorithm SHIFTX to calculate 1HN, 15N, 13Cα, 13Cβ, and 13C′ chemical shifts of the ankyrin repeat protein IκBα (residues 67−206), the primary inhibitor of nuclear factor κ-B (NF-κB). Free-energy-weighted molecular ensembles were generated over a range of acceleration levels, affording systematic enhancement of the conformational space sampling of the protein. We have found that the predicted chemical shifts, particularly for the 15N, 13Cα, and 13Cβ nuclei, improve substantially with enhanced conformational space sampling up to an optimal acceleration level. Significant improvement in the predicted chemical shift data coincides with those regions of the protein that exhibit backbone dynamics on longer time scales. Interestingly, the optimal acceleration level for reproduction of the chemical shift data has previously been shown to best reproduce the experimental residual dipolar coupling (RDC) data for this system, as both chemical shift data and RDCs report on an ensemble and time average in the millisecond range." @default.
• W2016070039 created "2016-06-24" @default.
• W2016070039 creator A5001250430 @default.
• W2016070039 creator A5015837947 @default.
• W2016070039 creator A5016683019 @default.
• W2016070039 creator A5025560781 @default.
• W2016070039 creator A5030110730 @default.
• W2016070039 creator A5057335177 @default.
• W2016070039 date "2010-02-03" @default.
• W2016070039 modified "2023-09-28" @default.
• W2016070039 title "Enhanced Conformational Space Sampling Improves the Prediction of Chemical Shifts in Proteins" @default.
• W2016070039 doi "https://doi.org/10.1021/ja9093692" @default.
• W2016070039 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/2812018" @default.
• W2016070039 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20063881" @default.
• W2016070039 hasPublicationYear "2010" @default.
• W2016070039 type Work @default.
• W2016070039 sameAs 2016070039 @default.
• W2016070039 citedByCount "81" @default.
• W2016070039 countsByYear W20160700392012 @default.
• W2016070039 countsByYear W20160700392013 @default.
• W2016070039 countsByYear W20160700392014 @default.
• W2016070039 countsByYear W20160700392015 @default.
• W2016070039 countsByYear W20160700392016 @default.
• W2016070039 countsByYear W20160700392017 @default.
• W2016070039 countsByYear W20160700392018 @default.
• W2016070039 countsByYear W20160700392020 @default.
• W2016070039 countsByYear W20160700392021 @default.
• W2016070039 countsByYear W20160700392022 @default.
• W2016070039 countsByYear W20160700392023 @default.
• W2016070039 crossrefType "journal-article" @default.
• W2016070039 hasAuthorship W2016070039A5001250430 @default.
• W2016070039 hasAuthorship W2016070039A5015837947 @default.
• W2016070039 hasAuthorship W2016070039A5016683019 @default.
• W2016070039 hasAuthorship W2016070039A5025560781 @default.
• W2016070039 hasAuthorship W2016070039A5030110730 @default.
• W2016070039 hasAuthorship W2016070039A5057335177 @default.
• W2016070039 hasBestOaLocation W20160700391 @default.
• W2016070039 hasConcept C111429119 @default.
• W2016070039 hasConcept C11413529 @default.
• W2016070039 hasConcept C117896860 @default.
• W2016070039 hasConcept C120665830 @default.
• W2016070039 hasConcept C121332964 @default.
• W2016070039 hasConcept C1276947 @default.
• W2016070039 hasConcept C140779682 @default.
• W2016070039 hasConcept C147597530 @default.
• W2016070039 hasConcept C147789679 @default.
• W2016070039 hasConcept C150769733 @default.
• W2016070039 hasConcept C155512373 @default.
• W2016070039 hasConcept C159467904 @default.
• W2016070039 hasConcept C185592680 @default.
• W2016070039 hasConcept C186060115 @default.
• W2016070039 hasConcept C41008148 @default.
• W2016070039 hasConcept C55493867 @default.
• W2016070039 hasConcept C59593255 @default.
• W2016070039 hasConcept C60327585 @default.
• W2016070039 hasConcept C66974803 @default.
• W2016070039 hasConcept C71240020 @default.
• W2016070039 hasConcept C74187038 @default.
• W2016070039 hasConcept C74650414 @default.
• W2016070039 hasConcept C86803240 @default.
• W2016070039 hasConcept C94915269 @default.
• W2016070039 hasConcept C99726746 @default.
• W2016070039 hasConceptScore W2016070039C111429119 @default.
• W2016070039 hasConceptScore W2016070039C11413529 @default.
• W2016070039 hasConceptScore W2016070039C117896860 @default.
• W2016070039 hasConceptScore W2016070039C120665830 @default.
• W2016070039 hasConceptScore W2016070039C121332964 @default.
• W2016070039 hasConceptScore W2016070039C1276947 @default.
• W2016070039 hasConceptScore W2016070039C140779682 @default.
• W2016070039 hasConceptScore W2016070039C147597530 @default.
• W2016070039 hasConceptScore W2016070039C147789679 @default.
• W2016070039 hasConceptScore W2016070039C150769733 @default.
• W2016070039 hasConceptScore W2016070039C155512373 @default.
• W2016070039 hasConceptScore W2016070039C159467904 @default.
• W2016070039 hasConceptScore W2016070039C185592680 @default.
• W2016070039 hasConceptScore W2016070039C186060115 @default.
• W2016070039 hasConceptScore W2016070039C41008148 @default.
• W2016070039 hasConceptScore W2016070039C55493867 @default.
• W2016070039 hasConceptScore W2016070039C59593255 @default.
• W2016070039 hasConceptScore W2016070039C60327585 @default.
• W2016070039 hasConceptScore W2016070039C66974803 @default.
• W2016070039 hasConceptScore W2016070039C71240020 @default.
• W2016070039 hasConceptScore W2016070039C74187038 @default.
• W2016070039 hasConceptScore W2016070039C74650414 @default.
• W2016070039 hasConceptScore W2016070039C86803240 @default.
• W2016070039 hasConceptScore W2016070039C94915269 @default.
• W2016070039 hasConceptScore W2016070039C99726746 @default.
• W2016070039 hasIssue "4" @default.
• W2016070039 hasLocation W20160700391 @default.
• W2016070039 hasLocation W20160700392 @default.
• W2016070039 hasLocation W20160700393 @default.
• W2016070039 hasLocation W20160700394 @default.
• W2016070039 hasLocation W20160700395 @default.
• W2016070039 hasOpenAccess W2016070039 @default.
• W2016070039 hasPrimaryLocation W20160700391 @default.
• W2016070039 hasRelatedWork W1982898404 @default.
• W2016070039 hasRelatedWork W2010821915 @default.
• W2016070039 hasRelatedWork W2016070039 @default.

• next