Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022865593> ?p ?o ?g. }
Showing items 1 to 98 of
98
with 100 items per page.
- W2022865593 abstract "The conformational preference of the glycosidic linkage of methyl-β-mannose was studied in the gas phase and in aqueous solution by ab initio calculations, and by molecular dynamics (MD) and Car-Parrinello molecular dynamics (CPMD) simulations. MD simulations were performed with various water potential functions to study the impact of the chosen water potential on the predicted conformational preference of the glycosidic linkage of the carbohydrate in solution. This study shows that the trans (t) orientation of the glycosidic linkage of methyl-β-mannose is preferred over its gauche clockwise (g+) orientation in solution. CPMD simulations clearly indicate that this preference is due to intermolecular hydrogen bonding with surrounding water molecules, whereas no such information could be demonstrated by MD simulations. This study demonstrates the importance of ab initio molecular dynamics simulations in studying the structural properties of carbohydrate-water interactions." @default.
- W2022865593 created "2016-06-24" @default.
- W2022865593 creator A5006193152 @default.
- W2022865593 date "2007-07-02" @default.
- W2022865593 modified "2023-10-10" @default.
- W2022865593 title "Preferred conformation of the glycosidic linkage of methyl-β-mannose" @default.
- W2022865593 cites W189960118 @default.
- W2022865593 cites W1970869407 @default.
- W2022865593 cites W1975526552 @default.
- W2022865593 cites W1976499671 @default.
- W2022865593 cites W1977342508 @default.
- W2022865593 cites W1981075069 @default.
- W2022865593 cites W1994864564 @default.
- W2022865593 cites W2014213512 @default.
- W2022865593 cites W2022733575 @default.
- W2022865593 cites W2023271753 @default.
- W2022865593 cites W2023506606 @default.
- W2022865593 cites W2032642369 @default.
- W2022865593 cites W2033268106 @default.
- W2022865593 cites W2034984814 @default.
- W2022865593 cites W2045596260 @default.
- W2022865593 cites W2061790013 @default.
- W2022865593 cites W2062029510 @default.
- W2022865593 cites W2066757885 @default.
- W2022865593 cites W2067200099 @default.
- W2022865593 cites W2084218406 @default.
- W2022865593 cites W2087596773 @default.
- W2022865593 cites W2087990820 @default.
- W2022865593 cites W2089976706 @default.
- W2022865593 cites W2103815459 @default.
- W2022865593 cites W2129301245 @default.
- W2022865593 cites W2132768429 @default.
- W2022865593 cites W2143981217 @default.
- W2022865593 cites W2149335857 @default.
- W2022865593 cites W2950338020 @default.
- W2022865593 cites W2950657600 @default.
- W2022865593 cites W3004570087 @default.
- W2022865593 doi "https://doi.org/10.1063/1.2747238" @default.
- W2022865593 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17627368" @default.
- W2022865593 hasPublicationYear "2007" @default.
- W2022865593 type Work @default.
- W2022865593 sameAs 2022865593 @default.
- W2022865593 citedByCount "23" @default.
- W2022865593 countsByYear W20228655932018 @default.
- W2022865593 countsByYear W20228655932021 @default.
- W2022865593 countsByYear W20228655932022 @default.
- W2022865593 crossrefType "journal-article" @default.
- W2022865593 hasAuthorship W2022865593A5006193152 @default.
- W2022865593 hasConcept C112887158 @default.
- W2022865593 hasConcept C147597530 @default.
- W2022865593 hasConcept C147789679 @default.
- W2022865593 hasConcept C150487720 @default.
- W2022865593 hasConcept C166950319 @default.
- W2022865593 hasConcept C178790620 @default.
- W2022865593 hasConcept C181199279 @default.
- W2022865593 hasConcept C183971685 @default.
- W2022865593 hasConcept C184651966 @default.
- W2022865593 hasConcept C185592680 @default.
- W2022865593 hasConcept C2781442258 @default.
- W2022865593 hasConcept C32909587 @default.
- W2022865593 hasConcept C59593255 @default.
- W2022865593 hasConcept C71240020 @default.
- W2022865593 hasConcept C8010536 @default.
- W2022865593 hasConceptScore W2022865593C112887158 @default.
- W2022865593 hasConceptScore W2022865593C147597530 @default.
- W2022865593 hasConceptScore W2022865593C147789679 @default.
- W2022865593 hasConceptScore W2022865593C150487720 @default.
- W2022865593 hasConceptScore W2022865593C166950319 @default.
- W2022865593 hasConceptScore W2022865593C178790620 @default.
- W2022865593 hasConceptScore W2022865593C181199279 @default.
- W2022865593 hasConceptScore W2022865593C183971685 @default.
- W2022865593 hasConceptScore W2022865593C184651966 @default.
- W2022865593 hasConceptScore W2022865593C185592680 @default.
- W2022865593 hasConceptScore W2022865593C2781442258 @default.
- W2022865593 hasConceptScore W2022865593C32909587 @default.
- W2022865593 hasConceptScore W2022865593C59593255 @default.
- W2022865593 hasConceptScore W2022865593C71240020 @default.
- W2022865593 hasConceptScore W2022865593C8010536 @default.
- W2022865593 hasIssue "1" @default.
- W2022865593 hasLocation W20228655931 @default.
- W2022865593 hasLocation W20228655932 @default.
- W2022865593 hasOpenAccess W2022865593 @default.
- W2022865593 hasPrimaryLocation W20228655931 @default.
- W2022865593 hasRelatedWork W1580507190 @default.
- W2022865593 hasRelatedWork W1974821220 @default.
- W2022865593 hasRelatedWork W2023799671 @default.
- W2022865593 hasRelatedWork W2030574793 @default.
- W2022865593 hasRelatedWork W2033713882 @default.
- W2022865593 hasRelatedWork W2131677795 @default.
- W2022865593 hasRelatedWork W2137366329 @default.
- W2022865593 hasRelatedWork W2142401223 @default.
- W2022865593 hasRelatedWork W2340553995 @default.
- W2022865593 hasRelatedWork W3211156424 @default.
- W2022865593 hasVolume "127" @default.
- W2022865593 isParatext "false" @default.
- W2022865593 isRetracted "false" @default.
- W2022865593 magId "2022865593" @default.
- W2022865593 workType "article" @default.