Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022674799> ?p ?o ?g. }
Showing items 1 to 100 of
100
with 100 items per page.
- W2022674799 endingPage "184" @default.
- W2022674799 startingPage "177" @default.
- W2022674799 abstract "Ab initio conformational analysis of the dipeptide Ac-Valine-Alanine-NHMe was performed and optimized at the RHF/3-21g level of theory in an attempt to characterize the folding of short peptides. A topological scan of alanine's (Ala) ψ and ϕ rotors was carried out with valine (Val) in the βL geometry to construct a Ramachandran surface in two- and three-dimensions. It was observed that Val sterically dominates the conformations of Ala. Of the 243 possible conformers in this study, 202 were found. Those that were not found had converged to a different geometry of lower energy and greater stability. The γL and εL conformers of Ala were favoured, and 47 of the found conformers can be classified as potential β-turns according to the traditional backbone torsional definitions. However, the potentially most stable conformer, αDaγL, was not in one of these regions of the Ramachandran surface. Thus, β-turns may not be inherent conformations of the Val-Ala dipeptide, but may arise preferentially within protein structures due to certain steric effects from the surrounding environment." @default.
- W2022674799 created "2016-06-24" @default.
- W2022674799 creator A5012881959 @default.
- W2022674799 creator A5021615742 @default.
- W2022674799 creator A5056348673 @default.
- W2022674799 date "2005-09-01" @default.
- W2022674799 modified "2023-09-27" @default.
- W2022674799 title "Ab initio conformational analysis of N- and C-terminally-protected valyl-alanine dipeptide model" @default.
- W2022674799 cites W1544623810 @default.
- W2022674799 cites W1605897306 @default.
- W2022674799 cites W1972430748 @default.
- W2022674799 cites W1983031715 @default.
- W2022674799 cites W1989653065 @default.
- W2022674799 cites W1994983243 @default.
- W2022674799 cites W2000910854 @default.
- W2022674799 cites W2008708467 @default.
- W2022674799 cites W2012716149 @default.
- W2022674799 cites W2017873513 @default.
- W2022674799 cites W2029557303 @default.
- W2022674799 cites W2030168926 @default.
- W2022674799 cites W2038147123 @default.
- W2022674799 cites W2073205388 @default.
- W2022674799 cites W2076834744 @default.
- W2022674799 cites W2079300109 @default.
- W2022674799 cites W2091631852 @default.
- W2022674799 cites W2093330381 @default.
- W2022674799 cites W2094658132 @default.
- W2022674799 cites W2114441129 @default.
- W2022674799 cites W2153439292 @default.
- W2022674799 cites W2984148133 @default.
- W2022674799 doi "https://doi.org/10.1016/j.theochem.2005.02.064" @default.
- W2022674799 hasPublicationYear "2005" @default.
- W2022674799 type Work @default.
- W2022674799 sameAs 2022674799 @default.
- W2022674799 citedByCount "8" @default.
- W2022674799 countsByYear W20226747992017 @default.
- W2022674799 countsByYear W20226747992018 @default.
- W2022674799 countsByYear W20226747992020 @default.
- W2022674799 countsByYear W20226747992022 @default.
- W2022674799 crossrefType "journal-article" @default.
- W2022674799 hasAuthorship W2022674799A5012881959 @default.
- W2022674799 hasAuthorship W2022674799A5021615742 @default.
- W2022674799 hasAuthorship W2022674799A5056348673 @default.
- W2022674799 hasConcept C119599485 @default.
- W2022674799 hasConcept C127413603 @default.
- W2022674799 hasConcept C14301744 @default.
- W2022674799 hasConcept C147597530 @default.
- W2022674799 hasConcept C178790620 @default.
- W2022674799 hasConcept C185592680 @default.
- W2022674799 hasConcept C18705241 @default.
- W2022674799 hasConcept C201194858 @default.
- W2022674799 hasConcept C204328495 @default.
- W2022674799 hasConcept C2776545253 @default.
- W2022674799 hasConcept C2779138802 @default.
- W2022674799 hasConcept C2781442258 @default.
- W2022674799 hasConcept C32909587 @default.
- W2022674799 hasConcept C47701112 @default.
- W2022674799 hasConcept C515207424 @default.
- W2022674799 hasConcept C55493867 @default.
- W2022674799 hasConcept C71240020 @default.
- W2022674799 hasConcept C8010536 @default.
- W2022674799 hasConceptScore W2022674799C119599485 @default.
- W2022674799 hasConceptScore W2022674799C127413603 @default.
- W2022674799 hasConceptScore W2022674799C14301744 @default.
- W2022674799 hasConceptScore W2022674799C147597530 @default.
- W2022674799 hasConceptScore W2022674799C178790620 @default.
- W2022674799 hasConceptScore W2022674799C185592680 @default.
- W2022674799 hasConceptScore W2022674799C18705241 @default.
- W2022674799 hasConceptScore W2022674799C201194858 @default.
- W2022674799 hasConceptScore W2022674799C204328495 @default.
- W2022674799 hasConceptScore W2022674799C2776545253 @default.
- W2022674799 hasConceptScore W2022674799C2779138802 @default.
- W2022674799 hasConceptScore W2022674799C2781442258 @default.
- W2022674799 hasConceptScore W2022674799C32909587 @default.
- W2022674799 hasConceptScore W2022674799C47701112 @default.
- W2022674799 hasConceptScore W2022674799C515207424 @default.
- W2022674799 hasConceptScore W2022674799C55493867 @default.
- W2022674799 hasConceptScore W2022674799C71240020 @default.
- W2022674799 hasConceptScore W2022674799C8010536 @default.
- W2022674799 hasIssue "3" @default.
- W2022674799 hasLocation W20226747991 @default.
- W2022674799 hasOpenAccess W2022674799 @default.
- W2022674799 hasPrimaryLocation W20226747991 @default.
- W2022674799 hasRelatedWork W1987020816 @default.
- W2022674799 hasRelatedWork W2005370652 @default.
- W2022674799 hasRelatedWork W2022674799 @default.
- W2022674799 hasRelatedWork W2047628887 @default.
- W2022674799 hasRelatedWork W2076578930 @default.
- W2022674799 hasRelatedWork W2084703708 @default.
- W2022674799 hasRelatedWork W230227022 @default.
- W2022674799 hasRelatedWork W2316319083 @default.
- W2022674799 hasRelatedWork W2736666543 @default.
- W2022674799 hasRelatedWork W4312118797 @default.
- W2022674799 hasVolume "729" @default.
- W2022674799 isParatext "false" @default.
- W2022674799 isRetracted "false" @default.
- W2022674799 magId "2022674799" @default.
- W2022674799 workType "article" @default.