FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2007084945> ?p ?o ?g. }

• W2007084945 endingPage "1431" @default.
• W2007084945 startingPage "1423" @default.
• W2007084945 abstract "In this paper, we present the structural and dynamic results of a 3.4 ns molecular dynamics simulation of a reaction center protein immersed in a micelle-like environment formed by a detergent, lauryl dimethyl amino oxide or LDAO, and hydrated by more than 6000 additional water molecules. The whole system, ≈40 000 atoms, was simulated using an all-atom force field with refined potential parameters developed by us to describe the protein cofactors and the detergent molecules. LDAO, inserted at the beginning of the run in a configuration far from equilibrium, rearranged forming a micelle attached to the hydrophobic regions of the protein. The micelle is a stable and dynamic structure over the whole trajectory and prevents the protein and the internal cofactors from contacts with water. Comparing our simulated system with the high-resolution crystallographic structure, the deviations of the backbone atoms are small, less than 1.8 Å after 3.4 ns, and the chromophore arrangement geometry is stable and close to X-ray for the whole simulation. Thus, our system constitutes a realistic model to investigate at an atomic level the role of the protein environment on the charge transfer processes taking place in this complex. Related to the functionality of this RC protein, we observe the isomerization of the tyr M210 which is directly coupled with the primary electron transfer. Concerning the branch functionality of the RC, we observe that the computed minimum distance between the chromophores on the L and M side has a different dynamic behavior and is smaller on average for transitions on the L side. This finding might have some bearing on the electron-transfer asymmetry of the primary charge transfer." @default.
• W2007084945 created "2016-06-24" @default.
• W2007084945 creator A5012889925 @default.
• W2007084945 creator A5070007830 @default.
• W2007084945 date "2003-01-21" @default.
• W2007084945 modified "2023-09-27" @default.
• W2007084945 title "Simulation and Modeling of the <i>Rhodobacter </i><i>s</i><i>phaeroides</i> Bacterial Reaction Center: Structure and Interactions" @default.
• W2007084945 cites W105717962 @default.
• W2007084945 cites W1916260872 @default.
• W2007084945 cites W1966867657 @default.
• W2007084945 cites W1968807578 @default.
• W2007084945 cites W1970201026 @default.
• W2007084945 cites W1977482735 @default.
• W2007084945 cites W1978007092 @default.
• W2007084945 cites W1982012605 @default.
• W2007084945 cites W1989959220 @default.
• W2007084945 cites W1992988788 @default.
• W2007084945 cites W2005030208 @default.
• W2007084945 cites W2006415222 @default.
• W2007084945 cites W2009918918 @default.
• W2007084945 cites W2025989829 @default.
• W2007084945 cites W2026531932 @default.
• W2007084945 cites W2035687084 @default.
• W2007084945 cites W2039619064 @default.
• W2007084945 cites W2039690191 @default.
• W2007084945 cites W2041638382 @default.
• W2007084945 cites W2042267228 @default.
• W2007084945 cites W2044626212 @default.
• W2007084945 cites W2045657708 @default.
• W2007084945 cites W2057270145 @default.
• W2007084945 cites W2066506937 @default.
• W2007084945 cites W2067174909 @default.
• W2007084945 cites W2081693079 @default.
• W2007084945 cites W2093724884 @default.
• W2007084945 cites W2095551065 @default.
• W2007084945 cites W2106140689 @default.
• W2007084945 cites W2127341056 @default.
• W2007084945 cites W2128450134 @default.
• W2007084945 cites W2129750096 @default.
• W2007084945 cites W2146201521 @default.
• W2007084945 cites W2146462263 @default.
• W2007084945 cites W2166305691 @default.
• W2007084945 cites W2170074704 @default.
• W2007084945 cites W4210417723 @default.
• W2007084945 cites W4231452968 @default.
• W2007084945 doi "https://doi.org/10.1021/jp0270001" @default.
• W2007084945 hasPublicationYear "2003" @default.
• W2007084945 type Work @default.
• W2007084945 sameAs 2007084945 @default.
• W2007084945 citedByCount "26" @default.
• W2007084945 countsByYear W20070849452012 @default.
• W2007084945 countsByYear W20070849452014 @default.
• W2007084945 countsByYear W20070849452016 @default.
• W2007084945 countsByYear W20070849452017 @default.
• W2007084945 countsByYear W20070849452018 @default.
• W2007084945 countsByYear W20070849452023 @default.
• W2007084945 crossrefType "journal-article" @default.
• W2007084945 hasAuthorship W2007084945A5012889925 @default.
• W2007084945 hasAuthorship W2007084945A5070007830 @default.
• W2007084945 hasConcept C10803110 @default.
• W2007084945 hasConcept C11268172 @default.
• W2007084945 hasConcept C121332964 @default.
• W2007084945 hasConcept C123669783 @default.
• W2007084945 hasConcept C126661725 @default.
• W2007084945 hasConcept C147597530 @default.
• W2007084945 hasConcept C147789679 @default.
• W2007084945 hasConcept C159467904 @default.
• W2007084945 hasConcept C161790260 @default.
• W2007084945 hasConcept C178790620 @default.
• W2007084945 hasConcept C184651966 @default.
• W2007084945 hasConcept C185592680 @default.
• W2007084945 hasConcept C188231169 @default.
• W2007084945 hasConcept C192468462 @default.
• W2007084945 hasConcept C32909587 @default.
• W2007084945 hasConcept C59593255 @default.
• W2007084945 hasConcept C62520636 @default.
• W2007084945 hasConcept C75473681 @default.
• W2007084945 hasConcept C8010536 @default.
• W2007084945 hasConceptScore W2007084945C10803110 @default.
• W2007084945 hasConceptScore W2007084945C11268172 @default.
• W2007084945 hasConceptScore W2007084945C121332964 @default.
• W2007084945 hasConceptScore W2007084945C123669783 @default.
• W2007084945 hasConceptScore W2007084945C126661725 @default.
• W2007084945 hasConceptScore W2007084945C147597530 @default.
• W2007084945 hasConceptScore W2007084945C147789679 @default.
• W2007084945 hasConceptScore W2007084945C159467904 @default.
• W2007084945 hasConceptScore W2007084945C161790260 @default.
• W2007084945 hasConceptScore W2007084945C178790620 @default.
• W2007084945 hasConceptScore W2007084945C184651966 @default.
• W2007084945 hasConceptScore W2007084945C185592680 @default.
• W2007084945 hasConceptScore W2007084945C188231169 @default.
• W2007084945 hasConceptScore W2007084945C192468462 @default.
• W2007084945 hasConceptScore W2007084945C32909587 @default.
• W2007084945 hasConceptScore W2007084945C59593255 @default.
• W2007084945 hasConceptScore W2007084945C62520636 @default.
• W2007084945 hasConceptScore W2007084945C75473681 @default.
• W2007084945 hasConceptScore W2007084945C8010536 @default.
• W2007084945 hasIssue "6" @default.

• next