FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2523133086> ?p ?o ?g. }

• W2523133086 endingPage "3966" @default.
• W2523133086 startingPage "3961" @default.
• W2523133086 abstract "Proton-coupled transmembrane proteins play important roles in human health and diseases; however, detailed mechanisms are often elusive. Experimentally resolving proton positions and structural details is challenging, and conventional molecular dynamics simulations are performed with preassigned and fixed protonation states. To address this challenge, here we illustrate the use of the state-of-the-art continuous constant pH molecular dynamics (CpHMD) to directly describe the activation of the M2 channel of influenza virus, for which abundant experimental data are available. Starting from the closed crystal structure, simulation reveals a pH-dependent conformational switch to an activated state that resembles the open crystal structure. Importantly, simulation affords the free energy of channel opening coupled to the titration of a histidine tetrad, thereby providing a thermodynamic mechanism for M2 activation, that is consistent with NMR data and resolves the controversy with crystal structures obtained at different pH values. This work illustrates the utility of CpHMD in offering previously unattainable conformational details and thermodynamic information for proton-coupled transmembrane channels and transporters." @default.
• W2523133086 created "2016-09-30" @default.
• W2523133086 creator A5053686959 @default.
• W2523133086 creator A5064599430 @default.
• W2523133086 creator A5084434392 @default.
• W2523133086 date "2016-09-23" @default.
• W2523133086 modified "2023-09-29" @default.
• W2523133086 title "Conformational Activation of a Transmembrane Proton Channel from Constant pH Molecular Dynamics" @default.
• W2523133086 cites W1536496588 @default.
• W2523133086 cites W1964319459 @default.
• W2523133086 cites W1966438745 @default.
• W2523133086 cites W1974452612 @default.
• W2523133086 cites W1980318325 @default.
• W2523133086 cites W1987413552 @default.
• W2523133086 cites W1989764838 @default.
• W2523133086 cites W2009397538 @default.
• W2523133086 cites W2013129155 @default.
• W2523133086 cites W2013767643 @default.
• W2523133086 cites W2023256284 @default.
• W2523133086 cites W2026828269 @default.
• W2523133086 cites W2027408247 @default.
• W2523133086 cites W2032187756 @default.
• W2523133086 cites W2037831301 @default.
• W2523133086 cites W2050333027 @default.
• W2523133086 cites W2051894265 @default.
• W2523133086 cites W2055216181 @default.
• W2523133086 cites W2056136433 @default.
• W2523133086 cites W2058292477 @default.
• W2523133086 cites W2058412945 @default.
• W2523133086 cites W2066414494 @default.
• W2523133086 cites W2074034360 @default.
• W2523133086 cites W2079298235 @default.
• W2523133086 cites W2084355438 @default.
• W2523133086 cites W2088626655 @default.
• W2523133086 cites W2101532349 @default.
• W2523133086 cites W2107317356 @default.
• W2523133086 cites W2108981195 @default.
• W2523133086 cites W2112404890 @default.
• W2523133086 cites W2132262459 @default.
• W2523133086 cites W2133085299 @default.
• W2523133086 cites W2170259317 @default.
• W2523133086 cites W2219910005 @default.
• W2523133086 cites W2411825743 @default.
• W2523133086 cites W2472763914 @default.
• W2523133086 doi "https://doi.org/10.1021/acs.jpclett.6b01853" @default.
• W2523133086 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5718886" @default.
• W2523133086 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27648806" @default.
• W2523133086 hasPublicationYear "2016" @default.
• W2523133086 type Work @default.
• W2523133086 sameAs 2523133086 @default.
• W2523133086 citedByCount "47" @default.
• W2523133086 countsByYear W25231330862017 @default.
• W2523133086 countsByYear W25231330862018 @default.
• W2523133086 countsByYear W25231330862019 @default.
• W2523133086 countsByYear W25231330862020 @default.
• W2523133086 countsByYear W25231330862021 @default.
• W2523133086 countsByYear W25231330862022 @default.
• W2523133086 countsByYear W25231330862023 @default.
• W2523133086 crossrefType "journal-article" @default.
• W2523133086 hasAuthorship W2523133086A5053686959 @default.
• W2523133086 hasAuthorship W2523133086A5064599430 @default.
• W2523133086 hasAuthorship W2523133086A5084434392 @default.
• W2523133086 hasBestOaLocation W25231330862 @default.
• W2523133086 hasConcept C115624301 @default.
• W2523133086 hasConcept C118892022 @default.
• W2523133086 hasConcept C121332964 @default.
• W2523133086 hasConcept C145148216 @default.
• W2523133086 hasConcept C147597530 @default.
• W2523133086 hasConcept C159467904 @default.
• W2523133086 hasConcept C170493617 @default.
• W2523133086 hasConcept C178790620 @default.
• W2523133086 hasConcept C185592680 @default.
• W2523133086 hasConcept C24530287 @default.
• W2523133086 hasConcept C2777339483 @default.
• W2523133086 hasConcept C2778460671 @default.
• W2523133086 hasConcept C2992012372 @default.
• W2523133086 hasConcept C30095370 @default.
• W2523133086 hasConcept C41625074 @default.
• W2523133086 hasConcept C515207424 @default.
• W2523133086 hasConcept C54516573 @default.
• W2523133086 hasConcept C55493867 @default.
• W2523133086 hasConcept C59593255 @default.
• W2523133086 hasConcept C62520636 @default.
• W2523133086 hasConcept C71240020 @default.
• W2523133086 hasConcept C8010536 @default.
• W2523133086 hasConceptScore W2523133086C115624301 @default.
• W2523133086 hasConceptScore W2523133086C118892022 @default.
• W2523133086 hasConceptScore W2523133086C121332964 @default.
• W2523133086 hasConceptScore W2523133086C145148216 @default.
• W2523133086 hasConceptScore W2523133086C147597530 @default.
• W2523133086 hasConceptScore W2523133086C159467904 @default.
• W2523133086 hasConceptScore W2523133086C170493617 @default.
• W2523133086 hasConceptScore W2523133086C178790620 @default.
• W2523133086 hasConceptScore W2523133086C185592680 @default.
• W2523133086 hasConceptScore W2523133086C24530287 @default.
• W2523133086 hasConceptScore W2523133086C2777339483 @default.
• W2523133086 hasConceptScore W2523133086C2778460671 @default.
• W2523133086 hasConceptScore W2523133086C2992012372 @default.

• next