Matches in SemOpenAlex for { <https://semopenalex.org/work/W3163156623> ?p ?o ?g. }
- W3163156623 abstract "Understanding water transport mechanisms at the nanoscale level remains a challenge for theoretical chemical physics. Major advances in chemical synthesis have allowed us to discover new artificial water channels, rivaling with or even surpassing water conductance and selectivity of natural protein channels. In order to interpret experimental features and understand microscopic determinants for performance improvements, numerical approaches based on all-atom molecular dynamics simulations and enhanced sampling methods have been proposed. In this study, we quantify the influence of microscopic observables, such as channel radius and hydrogen bond connectivity, and of meso-scale features, such as the size of self-assembly blocks, on the permeation rate of a self-assembled nanocrystal-like artificial water channel. Although the absolute permeation rate extrapolated from these simulations is overestimated by one order of magnitude compared to the experimental measurement, the detailed analysis of several observed conductive patterns in large assemblies opens new pathways to scalable membranes with enhanced water conductance for the future design." @default.
- W3163156623 created "2021-05-24" @default.
- W3163156623 creator A5015094774 @default.
- W3163156623 creator A5016139627 @default.
- W3163156623 creator A5046855548 @default.
- W3163156623 creator A5051254614 @default.
- W3163156623 creator A5067547000 @default.
- W3163156623 creator A5072105936 @default.
- W3163156623 creator A5082486103 @default.
- W3163156623 date "2021-05-10" @default.
- W3163156623 modified "2023-10-17" @default.
- W3163156623 title "Molecular dynamics simulations reveal statistics and microscopic mechanisms of water permeation in membrane-embedded artificial water channel nanoconstructs" @default.
- W3163156623 cites W1946394423 @default.
- W3163156623 cites W1970829829 @default.
- W3163156623 cites W1976499671 @default.
- W3163156623 cites W1979046104 @default.
- W3163156623 cites W1984481443 @default.
- W3163156623 cites W1988568995 @default.
- W3163156623 cites W2021520922 @default.
- W3163156623 cites W2025625972 @default.
- W3163156623 cites W2029667189 @default.
- W3163156623 cites W2039575360 @default.
- W3163156623 cites W2040681130 @default.
- W3163156623 cites W2040923822 @default.
- W3163156623 cites W2043901383 @default.
- W3163156623 cites W2060433756 @default.
- W3163156623 cites W2066414494 @default.
- W3163156623 cites W2106372026 @default.
- W3163156623 cites W2115979934 @default.
- W3163156623 cites W2133720902 @default.
- W3163156623 cites W2157322512 @default.
- W3163156623 cites W2170711116 @default.
- W3163156623 cites W2314193143 @default.
- W3163156623 cites W2330667168 @default.
- W3163156623 cites W2354808644 @default.
- W3163156623 cites W2591874476 @default.
- W3163156623 cites W2612598385 @default.
- W3163156623 cites W2792229310 @default.
- W3163156623 cites W2800925099 @default.
- W3163156623 cites W2805686959 @default.
- W3163156623 cites W2808898870 @default.
- W3163156623 cites W2890196794 @default.
- W3163156623 cites W3021525609 @default.
- W3163156623 cites W3080989402 @default.
- W3163156623 cites W3085471047 @default.
- W3163156623 cites W3089588061 @default.
- W3163156623 cites W3098939854 @default.
- W3163156623 doi "https://doi.org/10.1063/5.0044360" @default.
- W3163156623 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34241013" @default.
- W3163156623 hasPublicationYear "2021" @default.
- W3163156623 type Work @default.
- W3163156623 sameAs 3163156623 @default.
- W3163156623 citedByCount "5" @default.
- W3163156623 countsByYear W31631566232021 @default.
- W3163156623 countsByYear W31631566232022 @default.
- W3163156623 countsByYear W31631566232023 @default.
- W3163156623 crossrefType "journal-article" @default.
- W3163156623 hasAuthorship W3163156623A5015094774 @default.
- W3163156623 hasAuthorship W3163156623A5016139627 @default.
- W3163156623 hasAuthorship W3163156623A5046855548 @default.
- W3163156623 hasAuthorship W3163156623A5051254614 @default.
- W3163156623 hasAuthorship W3163156623A5067547000 @default.
- W3163156623 hasAuthorship W3163156623A5072105936 @default.
- W3163156623 hasAuthorship W3163156623A5082486103 @default.
- W3163156623 hasBestOaLocation W31631566232 @default.
- W3163156623 hasConcept C121332964 @default.
- W3163156623 hasConcept C121932024 @default.
- W3163156623 hasConcept C128747166 @default.
- W3163156623 hasConcept C147597530 @default.
- W3163156623 hasConcept C159467904 @default.
- W3163156623 hasConcept C171250308 @default.
- W3163156623 hasConcept C178635117 @default.
- W3163156623 hasConcept C185592680 @default.
- W3163156623 hasConcept C186060115 @default.
- W3163156623 hasConcept C192562407 @default.
- W3163156623 hasConcept C26873012 @default.
- W3163156623 hasConcept C2988574769 @default.
- W3163156623 hasConcept C2992163139 @default.
- W3163156623 hasConcept C38652104 @default.
- W3163156623 hasConcept C39432304 @default.
- W3163156623 hasConcept C41008148 @default.
- W3163156623 hasConcept C41625074 @default.
- W3163156623 hasConcept C45206210 @default.
- W3163156623 hasConcept C50670333 @default.
- W3163156623 hasConcept C55493867 @default.
- W3163156623 hasConcept C59593255 @default.
- W3163156623 hasConcept C86803240 @default.
- W3163156623 hasConcept C87717796 @default.
- W3163156623 hasConceptScore W3163156623C121332964 @default.
- W3163156623 hasConceptScore W3163156623C121932024 @default.
- W3163156623 hasConceptScore W3163156623C128747166 @default.
- W3163156623 hasConceptScore W3163156623C147597530 @default.
- W3163156623 hasConceptScore W3163156623C159467904 @default.
- W3163156623 hasConceptScore W3163156623C171250308 @default.
- W3163156623 hasConceptScore W3163156623C178635117 @default.
- W3163156623 hasConceptScore W3163156623C185592680 @default.
- W3163156623 hasConceptScore W3163156623C186060115 @default.
- W3163156623 hasConceptScore W3163156623C192562407 @default.
- W3163156623 hasConceptScore W3163156623C26873012 @default.
- W3163156623 hasConceptScore W3163156623C2988574769 @default.