Matches in SemOpenAlex for { <https://semopenalex.org/work/W4294916355> ?p ?o ?g. }
- W4294916355 endingPage "3884" @default.
- W4294916355 startingPage "3874" @default.
- W4294916355 abstract "Tetrameric hemoglobins (Hbs) are prototypal systems for studies aimed at unveiling basic structure–function relationships as well as investigating the molecular/structural basis of adaptation of living organisms to extreme conditions. However, a chronological analysis of decade-long studies conducted on Hbs is illuminating on the difficulties associated with the attempts of gaining functional insights from static structures. Here, we applied molecular dynamics (MD) simulations to explore the functional transition from the T to the R state of the hemoglobin of the Antarctic fish Trematomus bernacchii (HbTb). Our study clearly demonstrates the ability of the MD technique to accurately describe the transition of HbTb from the T to R-like states, as shown by a number of global and local structural indicators. A comparative analysis of the structural states that HbTb assumes in the simulations with those detected in previous MD analyses conducted on HbA (human Hb) highlights interesting analogies (similarity of the transition pathway) and differences (distinct population of intermediate states). In particular, the ability of HbTb to significantly populate intermediate states along the functional pathway explains the observed propensity of this protein to assume these structures in the crystalline state. It also explains some functional data reported on the protein that indicate the occurrence of other functional states in addition to the canonical R and T ones. These findings are in line with the emerging idea that the classical two-state view underlying tetrameric Hb functionality is probably an oversimplification and that other structural states play important roles in these proteins. The ability of MD simulations to accurately describe the functional pathway in tetrameric Hbs suggests that this approach may be effectively applied to unravel the molecular and structural basis of Hbs exhibiting peculiar functional properties as a consequence of the environmental adaptation of the host organism." @default.
- W4294916355 created "2022-09-08" @default.
- W4294916355 creator A5047004590 @default.
- W4294916355 creator A5056333763 @default.
- W4294916355 creator A5064994528 @default.
- W4294916355 creator A5069398146 @default.
- W4294916355 creator A5077813943 @default.
- W4294916355 date "2022-08-05" @default.
- W4294916355 modified "2023-10-16" @default.
- W4294916355 title "Atomic-Level View of the Functional Transition in Vertebrate Hemoglobins: The Case of Antarctic Fish Hbs" @default.
- W4294916355 cites W1543500603 @default.
- W4294916355 cites W1929077523 @default.
- W4294916355 cites W1948960263 @default.
- W4294916355 cites W1968642517 @default.
- W4294916355 cites W1972297061 @default.
- W4294916355 cites W1973371568 @default.
- W4294916355 cites W1976195668 @default.
- W4294916355 cites W1976499671 @default.
- W4294916355 cites W1977163943 @default.
- W4294916355 cites W1985559601 @default.
- W4294916355 cites W1987484621 @default.
- W4294916355 cites W1988159625 @default.
- W4294916355 cites W2004194157 @default.
- W4294916355 cites W2004828021 @default.
- W4294916355 cites W2006231916 @default.
- W4294916355 cites W2013477601 @default.
- W4294916355 cites W2018540939 @default.
- W4294916355 cites W2026911129 @default.
- W4294916355 cites W2029667189 @default.
- W4294916355 cites W2034862150 @default.
- W4294916355 cites W2043914308 @default.
- W4294916355 cites W2053384651 @default.
- W4294916355 cites W2057477511 @default.
- W4294916355 cites W2067174909 @default.
- W4294916355 cites W2070883748 @default.
- W4294916355 cites W2077970346 @default.
- W4294916355 cites W2081693079 @default.
- W4294916355 cites W2085221615 @default.
- W4294916355 cites W2085465175 @default.
- W4294916355 cites W2115131000 @default.
- W4294916355 cites W2115439843 @default.
- W4294916355 cites W2121220560 @default.
- W4294916355 cites W2122257242 @default.
- W4294916355 cites W2128572087 @default.
- W4294916355 cites W2129134470 @default.
- W4294916355 cites W2132589721 @default.
- W4294916355 cites W2133760429 @default.
- W4294916355 cites W2139794631 @default.
- W4294916355 cites W2165422947 @default.
- W4294916355 cites W2169568707 @default.
- W4294916355 cites W2171268876 @default.
- W4294916355 cites W2206954826 @default.
- W4294916355 cites W2546738782 @default.
- W4294916355 cites W2878993711 @default.
- W4294916355 cites W2911398658 @default.
- W4294916355 cites W2928073632 @default.
- W4294916355 cites W2949766279 @default.
- W4294916355 cites W2973949149 @default.
- W4294916355 cites W2994940708 @default.
- W4294916355 cites W2999044305 @default.
- W4294916355 cites W3011621712 @default.
- W4294916355 cites W3027643549 @default.
- W4294916355 cites W3063120558 @default.
- W4294916355 cites W3183475563 @default.
- W4294916355 cites W3187520236 @default.
- W4294916355 cites W4240129380 @default.
- W4294916355 doi "https://doi.org/10.1021/acs.jcim.2c00727" @default.
- W4294916355 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35930673" @default.
- W4294916355 hasPublicationYear "2022" @default.
- W4294916355 type Work @default.
- W4294916355 citedByCount "0" @default.
- W4294916355 crossrefType "journal-article" @default.
- W4294916355 hasAuthorship W4294916355A5047004590 @default.
- W4294916355 hasAuthorship W4294916355A5056333763 @default.
- W4294916355 hasAuthorship W4294916355A5064994528 @default.
- W4294916355 hasAuthorship W4294916355A5069398146 @default.
- W4294916355 hasAuthorship W4294916355A5077813943 @default.
- W4294916355 hasBestOaLocation W42949163552 @default.
- W4294916355 hasConcept C104317684 @default.
- W4294916355 hasConcept C139807058 @default.
- W4294916355 hasConcept C14036430 @default.
- W4294916355 hasConcept C169760540 @default.
- W4294916355 hasConcept C194232998 @default.
- W4294916355 hasConcept C2908647359 @default.
- W4294916355 hasConcept C2909208804 @default.
- W4294916355 hasConcept C505870484 @default.
- W4294916355 hasConcept C54355233 @default.
- W4294916355 hasConcept C70721500 @default.
- W4294916355 hasConcept C71924100 @default.
- W4294916355 hasConcept C78458016 @default.
- W4294916355 hasConcept C86803240 @default.
- W4294916355 hasConcept C99454951 @default.
- W4294916355 hasConceptScore W4294916355C104317684 @default.
- W4294916355 hasConceptScore W4294916355C139807058 @default.
- W4294916355 hasConceptScore W4294916355C14036430 @default.
- W4294916355 hasConceptScore W4294916355C169760540 @default.
- W4294916355 hasConceptScore W4294916355C194232998 @default.
- W4294916355 hasConceptScore W4294916355C2908647359 @default.