Matches in SemOpenAlex for { <https://semopenalex.org/work/W2227551804> ?p ?o ?g. }
- W2227551804 endingPage "e1004699" @default.
- W2227551804 startingPage "e1004699" @default.
- W2227551804 abstract "The Josephin Domain (JD), i.e. the N-terminal domain of Ataxin 3 (At3) protein, is an interesting example of competition between physiological function and aggregation risk. In fact, the fibrillogenesis of Ataxin 3, responsible for the spinocerebbellar ataxia 3, is strictly related to the JD thermodynamic stability. Whereas recent NMR studies have demonstrated that different JD conformations exist, the likelihood of JD achievable conformational states in solution is still an open issue. Marked differences in the available NMR models are located in the hairpin region, supporting the idea that JD has a flexible hairpin in dynamic equilibrium between open and closed states. In this work we have carried out an investigation on the JD conformational arrangement by means of both classical molecular dynamics (MD) and Metadynamics employing essential coordinates as collective variables. We provide a representation of the free energy landscape characterizing the transition pathway from a JD open-like structure to a closed-like conformation. Findings of our in silico study strongly point to the closed-like conformation as the most likely for a Josephin Domain in water." @default.
- W2227551804 created "2016-06-24" @default.
- W2227551804 creator A5011740656 @default.
- W2227551804 creator A5014606969 @default.
- W2227551804 creator A5030636329 @default.
- W2227551804 creator A5041462303 @default.
- W2227551804 creator A5076547286 @default.
- W2227551804 creator A5082024795 @default.
- W2227551804 date "2016-01-08" @default.
- W2227551804 modified "2023-09-25" @default.
- W2227551804 title "Josephin Domain Structural Conformations Explored by Metadynamics in Essential Coordinates" @default.
- W2227551804 cites W1519690546 @default.
- W2227551804 cites W1531178007 @default.
- W2227551804 cites W1965472986 @default.
- W2227551804 cites W1966078827 @default.
- W2227551804 cites W1969725515 @default.
- W2227551804 cites W1972594892 @default.
- W2227551804 cites W1974000752 @default.
- W2227551804 cites W1974014096 @default.
- W2227551804 cites W1975667417 @default.
- W2227551804 cites W1976499671 @default.
- W2227551804 cites W1977463239 @default.
- W2227551804 cites W1979964642 @default.
- W2227551804 cites W1986902054 @default.
- W2227551804 cites W1986986500 @default.
- W2227551804 cites W2001996470 @default.
- W2227551804 cites W2002735780 @default.
- W2227551804 cites W2004879226 @default.
- W2227551804 cites W2007158408 @default.
- W2227551804 cites W2008428017 @default.
- W2227551804 cites W2019309109 @default.
- W2227551804 cites W2024709330 @default.
- W2227551804 cites W2024734522 @default.
- W2227551804 cites W2028875836 @default.
- W2227551804 cites W2029667189 @default.
- W2227551804 cites W2030985020 @default.
- W2227551804 cites W2035266068 @default.
- W2227551804 cites W2036101780 @default.
- W2227551804 cites W2037159954 @default.
- W2227551804 cites W2037458320 @default.
- W2227551804 cites W2040232982 @default.
- W2227551804 cites W2045431074 @default.
- W2227551804 cites W2045824011 @default.
- W2227551804 cites W2046764083 @default.
- W2227551804 cites W2057274108 @default.
- W2227551804 cites W2057477511 @default.
- W2227551804 cites W2061600637 @default.
- W2227551804 cites W2062105576 @default.
- W2227551804 cites W2064605629 @default.
- W2227551804 cites W2066951434 @default.
- W2227551804 cites W2073012734 @default.
- W2227551804 cites W2073257173 @default.
- W2227551804 cites W2074269844 @default.
- W2227551804 cites W2077292361 @default.
- W2227551804 cites W2077449710 @default.
- W2227551804 cites W2079054865 @default.
- W2227551804 cites W2080556941 @default.
- W2227551804 cites W2086126709 @default.
- W2227551804 cites W2086858480 @default.
- W2227551804 cites W2087338440 @default.
- W2227551804 cites W2089629318 @default.
- W2227551804 cites W2090054185 @default.
- W2227551804 cites W2094317631 @default.
- W2227551804 cites W2094902533 @default.
- W2227551804 cites W2102345899 @default.
- W2227551804 cites W2106102455 @default.
- W2227551804 cites W2112107733 @default.
- W2227551804 cites W2112154906 @default.
- W2227551804 cites W2113998330 @default.
- W2227551804 cites W2120057502 @default.
- W2227551804 cites W2133179696 @default.
- W2227551804 cites W2137546687 @default.
- W2227551804 cites W2144288821 @default.
- W2227551804 cites W2149655632 @default.
- W2227551804 cites W2157336498 @default.
- W2227551804 cites W2161605421 @default.
- W2227551804 cites W2167215915 @default.
- W2227551804 cites W2411648672 @default.
- W2227551804 cites W2975156758 @default.
- W2227551804 doi "https://doi.org/10.1371/journal.pcbi.1004699" @default.
- W2227551804 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4706304" @default.
- W2227551804 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26745628" @default.
- W2227551804 hasPublicationYear "2016" @default.
- W2227551804 type Work @default.
- W2227551804 sameAs 2227551804 @default.
- W2227551804 citedByCount "22" @default.
- W2227551804 countsByYear W22275518042016 @default.
- W2227551804 countsByYear W22275518042017 @default.
- W2227551804 countsByYear W22275518042018 @default.
- W2227551804 countsByYear W22275518042019 @default.
- W2227551804 countsByYear W22275518042020 @default.
- W2227551804 countsByYear W22275518042021 @default.
- W2227551804 crossrefType "journal-article" @default.
- W2227551804 hasAuthorship W2227551804A5011740656 @default.
- W2227551804 hasAuthorship W2227551804A5014606969 @default.
- W2227551804 hasAuthorship W2227551804A5030636329 @default.
- W2227551804 hasAuthorship W2227551804A5041462303 @default.
- W2227551804 hasAuthorship W2227551804A5076547286 @default.