Matches in SemOpenAlex for { <https://semopenalex.org/work/W2567556871> ?p ?o ?g. }
- W2567556871 abstract "Classical molecular dynamics (MD) simulations combined with docking calculations, potential of mean force estimates with the umbrella sampling method, and molecular mechanic/ PoissonBoltzmann surface area (MM-PBSA) energy calculations reveal that C60 may block K þ channels with two mechanisms: a low affinity blockage from the extracellular side, and an open- channelblockfromtheintracellularside.Thepresenceofalowaffinitybinding-siteattheextracellular entrance of the channel is in agreement with the experimental results showing a fast and reversible blockwithout use-dependence,fromthe extracellular compartment.Our simulation protocolsuggests theexistenceof anotherbinding site for C60 located in thechannel cavityatthe intracellular entrance of the selectivity filter. The escape barrier from this binding site is ∼21 kcal/mol making the correspondingkineticrateoftheorderofminutes.TheanalysisofthechangeinsolventaccessiblesurfaceareauponC60bindingshowsthatbindingatthissite isgovernedpurelybyshapecomplementarity,andthatthemoleculardeterminantsofbindingareconservedintheentirefamilyofK þ channels.Thepresence of this high-affinity binding site conserved among different K þ channels may have serious implications for the toxicity of carbon nanomaterials." @default.
- W2567556871 created "2017-01-06" @default.
- W2567556871 creator A5014137673 @default.
- W2567556871 creator A5017487322 @default.
- W2567556871 creator A5022820593 @default.
- W2567556871 creator A5069142955 @default.
- W2567556871 creator A5087288201 @default.
- W2567556871 creator A5089151118 @default.
- W2567556871 date "2015-01-01" @default.
- W2567556871 modified "2023-10-17" @default.
- W2567556871 title "Blocking the Passage: C 60 Geometrically Clogs K þ Channels" @default.
- W2567556871 cites W174644880 @default.
- W2567556871 cites W1964079668 @default.
- W2567556871 cites W1968430567 @default.
- W2567556871 cites W1968997865 @default.
- W2567556871 cites W1970670454 @default.
- W2567556871 cites W1972090269 @default.
- W2567556871 cites W1972758026 @default.
- W2567556871 cites W1973253352 @default.
- W2567556871 cites W1975408440 @default.
- W2567556871 cites W1976499671 @default.
- W2567556871 cites W1979719847 @default.
- W2567556871 cites W1980261438 @default.
- W2567556871 cites W1989753444 @default.
- W2567556871 cites W1990521684 @default.
- W2567556871 cites W1997856860 @default.
- W2567556871 cites W2007595254 @default.
- W2567556871 cites W2008978999 @default.
- W2567556871 cites W2010615178 @default.
- W2567556871 cites W2010788429 @default.
- W2567556871 cites W2011102148 @default.
- W2567556871 cites W2014717380 @default.
- W2567556871 cites W2019637120 @default.
- W2567556871 cites W2020180156 @default.
- W2567556871 cites W2021048158 @default.
- W2567556871 cites W2023785357 @default.
- W2567556871 cites W2027408247 @default.
- W2567556871 cites W2029582401 @default.
- W2567556871 cites W2032022251 @default.
- W2567556871 cites W2032443344 @default.
- W2567556871 cites W2032734987 @default.
- W2567556871 cites W2035687084 @default.
- W2567556871 cites W2038758364 @default.
- W2567556871 cites W2038827150 @default.
- W2567556871 cites W2041345208 @default.
- W2567556871 cites W2057001000 @default.
- W2567556871 cites W2058936522 @default.
- W2567556871 cites W2060544282 @default.
- W2567556871 cites W2069131639 @default.
- W2567556871 cites W2070579594 @default.
- W2567556871 cites W2070599205 @default.
- W2567556871 cites W2074092928 @default.
- W2567556871 cites W2084919823 @default.
- W2567556871 cites W2086621451 @default.
- W2567556871 cites W2101712920 @default.
- W2567556871 cites W2103342951 @default.
- W2567556871 cites W2103945336 @default.
- W2567556871 cites W2106207499 @default.
- W2567556871 cites W2110248411 @default.
- W2567556871 cites W2118651468 @default.
- W2567556871 cites W2127845160 @default.
- W2567556871 cites W2133872562 @default.
- W2567556871 cites W2140050159 @default.
- W2567556871 cites W2142129168 @default.
- W2567556871 cites W2143070723 @default.
- W2567556871 cites W2148570043 @default.
- W2567556871 cites W2150981663 @default.
- W2567556871 cites W2151151151 @default.
- W2567556871 cites W2164705023 @default.
- W2567556871 cites W2164829352 @default.
- W2567556871 cites W2169703093 @default.
- W2567556871 cites W2171195405 @default.
- W2567556871 cites W2317669166 @default.
- W2567556871 cites W2317976997 @default.
- W2567556871 cites W2328816864 @default.
- W2567556871 cites W2331409352 @default.
- W2567556871 cites W2799239168 @default.
- W2567556871 cites W3037896947 @default.
- W2567556871 hasPublicationYear "2015" @default.
- W2567556871 type Work @default.
- W2567556871 sameAs 2567556871 @default.
- W2567556871 citedByCount "0" @default.
- W2567556871 crossrefType "journal-article" @default.
- W2567556871 hasAuthorship W2567556871A5014137673 @default.
- W2567556871 hasAuthorship W2567556871A5017487322 @default.
- W2567556871 hasAuthorship W2567556871A5022820593 @default.
- W2567556871 hasAuthorship W2567556871A5069142955 @default.
- W2567556871 hasAuthorship W2567556871A5087288201 @default.
- W2567556871 hasAuthorship W2567556871A5089151118 @default.
- W2567556871 hasConcept C107824862 @default.
- W2567556871 hasConcept C12554922 @default.
- W2567556871 hasConcept C128747166 @default.
- W2567556871 hasConcept C147597530 @default.
- W2567556871 hasConcept C159110408 @default.
- W2567556871 hasConcept C175634916 @default.
- W2567556871 hasConcept C185592680 @default.
- W2567556871 hasConcept C28406088 @default.
- W2567556871 hasConcept C41685203 @default.
- W2567556871 hasConcept C55493867 @default.
- W2567556871 hasConcept C59593255 @default.