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Title: Molecular dynamics studies of pathways of water movement in cyanobacterial photosystem II

Photosystem II (PSII) catalyzes the light-induced generation of oxygen from water. The oxygen-evolving complex is buried deep in the protein on the lumenal side of PSII, and water molecules need to pass through protein subunits to reach the active siteā€”the manganese cluster. Previous studies on the elucidation of water channels in PSII were based on an analysis of the cavities in the static PSII structure determined by X-ray diffraction. In the present study, we perform molecular dynamics simulations of the water movement in the transport system of PSII.
Authors:
; ;  [1]
  1. Russian Academy of Sciences, Institute of Protein Research (Russian Federation)
Publication Date:
OSTI Identifier:
22472491
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystallography Reports; Journal Volume: 60; Journal Issue: 1; Other Information: Copyright (c) 2015 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COMPUTERIZED SIMULATION; CYANOBACTERIA; MANGANESE; MOLECULAR DYNAMICS METHOD; MOLECULES; OXYGEN; PROTEINS; SOLID CLUSTERS; VISIBLE RADIATION; WATER; X-RAY DIFFRACTION