ArticlePhotosynthesis research2023
Predicting the oxidation states of Mn ions in the oxygen-evolving complex of photosystem II using supervised and unsupervised machine learning.
Article in Photosynthesis research, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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9 citing papers in PubMed.
- An additional water is introduced into the manganese cluster during the formation of the SNature communications · 2026Article
- Electronic Structure of the SACS physical chemistry Au · 2025Article
- An analysis of the structural changes of the oxygen evolving complex of Photosystem II in the SBiochimica et biophysica acta. Bioenergetics · 2025Review
- Electron transfer in biological systems.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2024Review
- Exploring Nitric Oxide as a Regulator in Salt Tolerance: Insights into Photosynthetic Efficiency in Maize.Plants (Basel, Switzerland) · 2024Article
- Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II.Journal of the American Chemical Society · 2024Article
- Composition Based Oxidation State Prediction of Materials Using Deep Learning Language Models.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2023Article
- Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?Journal of the American Chemical Society · 2023Article
- Identification of the protonation and oxidation states of the oxygen-evolving complex in the low-dose X-ray crystal structure of photosystem II.Frontiers in plant science · 2023Article
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Abstract
Serial Femtosecond Crystallography at the X-ray Free Electron Laser (XFEL) sources enabled the imaging of the catalytic intermediates of the oxygen evolution reaction of Photosystem II (PSII). However, due to the incoherent transition of the S-states, the resolved structures are a convolution from different catalytic states. Here, we train Decision Tree Classifier and K-means clustering models on Mn compounds obtained from the Cambridge Crystallographic Database to predict the S-state of the X-ray, XFEL, and CryoEM structures by predicting the Mn's oxidation states in the oxygen-evolving complex. The model agrees mostly with the XFEL structures in the dark S
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