Matches in SemOpenAlex for { <https://semopenalex.org/work/W2324869897> ?p ?o ?g. }
- W2324869897 endingPage "2648" @default.
- W2324869897 startingPage "2638" @default.
- W2324869897 abstract "Using all-atom explicit solvent model and isobaric-isothermal replica exchange molecular dynamics, we studied binding of Aβ10-40 monomers to zwitterionic DMPC bilayer. Our simulations suggest three main conclusions. First, binding of Aβ10-40 monomer to the DMPC bilayer causes dramatic structural transition in the peptide resulting in the formation of stable helical structure in the C-terminal. In addition, binding to the lipid bilayer induces the formation of intrapeptide Asp23-Lys28 salt bridge. We argue that the emergence of helix is the consequence of hidden helix propensity harbored in the Aβ10-40 C-terminal. This propensity is revealed by the lipids cross-bridging amino acids in helical conformations and by significant hydrophobic moment of the C-terminal. Second, the central hydrophobic cluster and, particularly, the C-terminal of Aβ10-40 not only govern binding to the bilayer but also penetrate into bilayer core. In contrast, the polar N-terminal and turn region form interactions mainly with the bilayer surface. Third, our simulations suggest that upon Aβ10-40 binding to the bilayer a highly heterogeneous local environment emerges along Aβ10-40 chain. The N-terminal is exposed to polar well-hydrated medium, whereas the C-terminal is largely shielded from water residing in mostly hydrophobic environment. The implication of our results is that Aβ aggregation mediated by zwitterionic lipid bilayer is likely to be different from that in bulk water." @default.
- W2324869897 created "2016-06-24" @default.
- W2324869897 creator A5056432209 @default.
- W2324869897 creator A5079525568 @default.
- W2324869897 date "2014-02-28" @default.
- W2324869897 modified "2023-10-03" @default.
- W2324869897 title "Alzheimer’s Aβ10–40 Peptide Binds and Penetrates DMPC Bilayer: An Isobaric–Isothermal Replica Exchange Molecular Dynamics Study" @default.
- W2324869897 cites W1602910611 @default.
- W2324869897 cites W1971267152 @default.
- W2324869897 cites W1976210162 @default.
- W2324869897 cites W1978386801 @default.
- W2324869897 cites W1979543098 @default.
- W2324869897 cites W1979695729 @default.
- W2324869897 cites W1980825524 @default.
- W2324869897 cites W1986800510 @default.
- W2324869897 cites W1995660753 @default.
- W2324869897 cites W1999061920 @default.
- W2324869897 cites W2002911779 @default.
- W2324869897 cites W2002930710 @default.
- W2324869897 cites W2004319881 @default.
- W2324869897 cites W2019756747 @default.
- W2324869897 cites W2026981923 @default.
- W2324869897 cites W2031868460 @default.
- W2324869897 cites W2032161274 @default.
- W2324869897 cites W2033451537 @default.
- W2324869897 cites W2036904012 @default.
- W2324869897 cites W2038758364 @default.
- W2324869897 cites W2039011144 @default.
- W2324869897 cites W2040809566 @default.
- W2324869897 cites W2046570203 @default.
- W2324869897 cites W2049878053 @default.
- W2324869897 cites W2051039246 @default.
- W2324869897 cites W2054086227 @default.
- W2324869897 cites W2058820575 @default.
- W2324869897 cites W2061685908 @default.
- W2324869897 cites W2064651437 @default.
- W2324869897 cites W2066414494 @default.
- W2324869897 cites W2077480295 @default.
- W2324869897 cites W2082231607 @default.
- W2324869897 cites W2084187244 @default.
- W2324869897 cites W2085287800 @default.
- W2324869897 cites W2091476323 @default.
- W2324869897 cites W2093718753 @default.
- W2324869897 cites W2096410114 @default.
- W2324869897 cites W2103815459 @default.
- W2324869897 cites W2109727228 @default.
- W2324869897 cites W2114078421 @default.
- W2324869897 cites W2121374178 @default.
- W2324869897 cites W2122814674 @default.
- W2324869897 cites W2134909516 @default.
- W2324869897 cites W2135370282 @default.
- W2324869897 cites W2139700828 @default.
- W2324869897 cites W2160679445 @default.
- W2324869897 cites W2163182995 @default.
- W2324869897 cites W2314989627 @default.
- W2324869897 cites W2326919130 @default.
- W2324869897 doi "https://doi.org/10.1021/jp412153s" @default.
- W2324869897 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24547901" @default.
- W2324869897 hasPublicationYear "2014" @default.
- W2324869897 type Work @default.
- W2324869897 sameAs 2324869897 @default.
- W2324869897 citedByCount "43" @default.
- W2324869897 countsByYear W23248698972014 @default.
- W2324869897 countsByYear W23248698972015 @default.
- W2324869897 countsByYear W23248698972016 @default.
- W2324869897 countsByYear W23248698972017 @default.
- W2324869897 countsByYear W23248698972018 @default.
- W2324869897 countsByYear W23248698972019 @default.
- W2324869897 countsByYear W23248698972020 @default.
- W2324869897 countsByYear W23248698972021 @default.
- W2324869897 countsByYear W23248698972022 @default.
- W2324869897 countsByYear W23248698972023 @default.
- W2324869897 crossrefType "journal-article" @default.
- W2324869897 hasAuthorship W2324869897A5056432209 @default.
- W2324869897 hasAuthorship W2324869897A5079525568 @default.
- W2324869897 hasConcept C12554922 @default.
- W2324869897 hasConcept C147597530 @default.
- W2324869897 hasConcept C159467904 @default.
- W2324869897 hasConcept C166940927 @default.
- W2324869897 hasConcept C178790620 @default.
- W2324869897 hasConcept C185592680 @default.
- W2324869897 hasConcept C18903297 @default.
- W2324869897 hasConcept C192157962 @default.
- W2324869897 hasConcept C2778530040 @default.
- W2324869897 hasConcept C2779965526 @default.
- W2324869897 hasConcept C39944091 @default.
- W2324869897 hasConcept C41625074 @default.
- W2324869897 hasConcept C521977710 @default.
- W2324869897 hasConcept C55493867 @default.
- W2324869897 hasConcept C59593255 @default.
- W2324869897 hasConcept C7070889 @default.
- W2324869897 hasConcept C76564549 @default.
- W2324869897 hasConcept C8010536 @default.
- W2324869897 hasConcept C85145957 @default.
- W2324869897 hasConcept C86803240 @default.
- W2324869897 hasConceptScore W2324869897C12554922 @default.
- W2324869897 hasConceptScore W2324869897C147597530 @default.
- W2324869897 hasConceptScore W2324869897C159467904 @default.