FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2413726045> ?p ?o ?g. }

• W2413726045 endingPage "10004" @default.
• W2413726045 startingPage "9995" @default.
• W2413726045 abstract "Studies on light-harvesting (LH) systems have attracted much attention after the finding of long-lived quantum coherences in the exciton dynamics of the Fenna-Matthews-Olson (FMO) complex. In this complex, excitation energy transfer occurs between the bacteriochlorophyll a (BChl a) pigments. Two quantum mechanics/molecular mechanics (QM/MM) studies, each with a different force-field and quantum chemistry approach, reported different excitation energy distributions for the FMO complex. To understand the reasons for these differences in the predicted excitation energies, we have carried out a comparative study between the simulations using the CHARMM and AMBER force field and the Zerner intermediate neglect of differential orbital (ZINDO)/S and time-dependent density functional theory (TDDFT) quantum chemistry methods. The calculations using the CHARMM force field together with ZINDO/S or TDDFT always show a wider spread in the energy distribution compared to those using the AMBER force field. High- or low-energy tails in these energy distributions result in larger values for the spectral density at low frequencies. A detailed study on individual BChl a molecules in solution shows that without the environment, the density of states is the same for both force field sets. Including the environmental point charges, however, the excitation energy distribution gets broader and, depending on the applied methods, also asymmetric. The excitation energy distribution predicted using TDDFT together with the AMBER force field shows a symmetric, Gaussian-like distribution." @default.
• W2413726045 created "2016-06-24" @default.
• W2413726045 creator A5016462450 @default.
• W2413726045 creator A5047106660 @default.
• W2413726045 creator A5071495561 @default.
• W2413726045 creator A5084434615 @default.
• W2413726045 creator A5085443950 @default.
• W2413726045 date "2015-07-23" @default.
• W2413726045 modified "2023-09-30" @default.
• W2413726045 title "Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl <i>a</i> in Solution and in FMO Proteins" @default.
• W2413726045 cites W1964897817 @default.
• W2413726045 cites W1965851511 @default.
• W2413726045 cites W1969234902 @default.
• W2413726045 cites W1970470357 @default.
• W2413726045 cites W1971052325 @default.
• W2413726045 cites W1976499671 @default.
• W2413726045 cites W1976899471 @default.
• W2413726045 cites W1977974544 @default.
• W2413726045 cites W1980809949 @default.
• W2413726045 cites W1982972906 @default.
• W2413726045 cites W2000413343 @default.
• W2413726045 cites W2013284961 @default.
• W2413726045 cites W2014066566 @default.
• W2413726045 cites W2024591590 @default.
• W2413726045 cites W2026766829 @default.
• W2413726045 cites W2029667189 @default.
• W2413726045 cites W2030104505 @default.
• W2413726045 cites W2035838814 @default.
• W2413726045 cites W2037159954 @default.
• W2413726045 cites W2037834497 @default.
• W2413726045 cites W2041526402 @default.
• W2413726045 cites W2043605983 @default.
• W2413726045 cites W2044385175 @default.
• W2413726045 cites W2045345626 @default.
• W2413726045 cites W2056127610 @default.
• W2413726045 cites W2057047003 @default.
• W2413726045 cites W2058468006 @default.
• W2413726045 cites W2062597826 @default.
• W2413726045 cites W2067200099 @default.
• W2413726045 cites W2067930799 @default.
• W2413726045 cites W2073152894 @default.
• W2413726045 cites W2082479893 @default.
• W2413726045 cites W2088307177 @default.
• W2413726045 cites W2090106994 @default.
• W2413726045 cites W2102296190 @default.
• W2413726045 cites W2104017292 @default.
• W2413726045 cites W2117649850 @default.
• W2413726045 cites W2129750096 @default.
• W2413726045 cites W2148425143 @default.
• W2413726045 cites W2150852355 @default.
• W2413726045 cites W2150981663 @default.
• W2413726045 cites W2158777069 @default.
• W2413726045 cites W2159586877 @default.
• W2413726045 cites W2162256237 @default.
• W2413726045 cites W2169565612 @default.
• W2413726045 cites W2312444376 @default.
• W2413726045 cites W2314969497 @default.
• W2413726045 cites W2317641515 @default.
• W2413726045 cites W2319583239 @default.
• W2413726045 cites W2319932212 @default.
• W2413726045 cites W2324694702 @default.
• W2413726045 cites W2325515415 @default.
• W2413726045 cites W2328622940 @default.
• W2413726045 cites W2330992034 @default.
• W2413726045 cites W2333816576 @default.
• W2413726045 cites W3099302868 @default.
• W2413726045 cites W3101071278 @default.
• W2413726045 cites W3102368044 @default.
• W2413726045 doi "https://doi.org/10.1021/acs.jpcb.5b03654" @default.
• W2413726045 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26156758" @default.
• W2413726045 hasPublicationYear "2015" @default.
• W2413726045 type Work @default.
• W2413726045 sameAs 2413726045 @default.
• W2413726045 citedByCount "81" @default.
• W2413726045 countsByYear W24137260452015 @default.
• W2413726045 countsByYear W24137260452016 @default.
• W2413726045 countsByYear W24137260452017 @default.
• W2413726045 countsByYear W24137260452018 @default.
• W2413726045 countsByYear W24137260452019 @default.
• W2413726045 countsByYear W24137260452020 @default.
• W2413726045 countsByYear W24137260452021 @default.
• W2413726045 countsByYear W24137260452022 @default.
• W2413726045 countsByYear W24137260452023 @default.
• W2413726045 crossrefType "journal-article" @default.
• W2413726045 hasAuthorship W2413726045A5016462450 @default.
• W2413726045 hasAuthorship W2413726045A5047106660 @default.
• W2413726045 hasAuthorship W2413726045A5071495561 @default.
• W2413726045 hasAuthorship W2413726045A5084434615 @default.
• W2413726045 hasAuthorship W2413726045A5085443950 @default.
• W2413726045 hasConcept C10803110 @default.
• W2413726045 hasConcept C121332964 @default.
• W2413726045 hasConcept C147597530 @default.
• W2413726045 hasConcept C152365726 @default.
• W2413726045 hasConcept C159467904 @default.
• W2413726045 hasConcept C17729963 @default.
• W2413726045 hasConcept C185592680 @default.
• W2413726045 hasConcept C202444582 @default.
• W2413726045 hasConcept C20853536 @default.

• next