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• W2023563042 abstract "Biological photosynthetic machineries, such as photosystem I, photosystem II, or the bacterial reaction center, use cofactor molecules that absorb light or directly participate in chemical reactions. Accurate description of the structure of the cofactors, and of their interactions with protein groups, is an important step toward understanding how photosynthetic machineries work. Here we revisit the classical force field parameters for chlorophyll-a, pheophytin-a and plastoquinone-9. We present systematic quantum mechanical and classical mechanical computations that lead to a good description of the structure and non-bonded interactions of these cofactors." @default.
• W2023563042 created "2016-06-24" @default.
• W2023563042 creator A5038575239 @default.
• W2023563042 creator A5038708358 @default.
• W2023563042 creator A5043039841 @default.
• W2023563042 date "2015-05-01" @default.
• W2023563042 modified "2023-09-27" @default.
• W2023563042 title "Revised force-field parameters for chlorophyll-a, pheophytin-a and plastoquinone-9" @default.
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• W2023563042 doi "https://doi.org/10.1016/j.jmgm.2015.03.001" @default.
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• W2023563042 hasPublicationYear "2015" @default.
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