ArticleJournal of molecular modeling2020
The study of conformational changes in photosystem II during a charge separation.
Article in Journal of molecular modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed, 19 citations in OpenAlex.
- Review
- Development of artificial photosystems based on designed proteins for mechanistic insights into photosynthesis.Protein science : a publication of the Protein Society · 2024Review
- Conformational control over proton-coupled electron transfer in metalloenzymes.Nature reviews. Chemistry · 2024Review
- Effects of Novel Photosynthetic Inhibitor [CuLCells · 2022Article
- Molecular, Brownian, kinetic and stochastic models of the processes in photosynthetic membrane of green plants and microalgae.Biophysical reviews · 2022Review
- Macromolecular conformational changes in photosystem II: interaction between structure and function.Biophysical reviews · 2022Review
- Analysis of the changes of electron transfer and heterogeneity of photosystem II in Deg1-reduced Arabidopsis plants.Photosynthesis research · 2021Article
- A TDDFT investigation of the Photosystem II reaction center: Insights into the precursors to charge separation.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- Molecular dynamics simulations in photosynthesis.Photosynthesis research · 2020Review
- Redesign of the Chlamydomonas reinhardtii QPhysiologia plantarumArticle
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 2 countries.
Funding
Abstract
Photosystem II (PSII) is a multi-subunit pigment-protein complex and is one of several protein assemblies that function cooperatively in photosynthesis in plants and cyanobacteria. As more structural data on PSII become available, new questions arise concerning the nature of the charge separation in PSII reaction center (RC). The crystal structure of PSII RC from cyanobacteria Thermosynechococcus vulcanus was selected for the computational study of conformational changes in photosystem II associated to the charge separation process. The parameterization of cofactors and lipids for classical MD simulation with Amber force field was performed. The parametrized complex of PSII was embedded in the lipid membrane for MD simulation with Amber in Gromacs. The conformational behavior of protein and the cofactors directly involved in the charge separation were studied by MD simulations and QM/MM calculations. This study identified the most likely mechanism of the proton-coupled reduction of plastoquinone Q
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