QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II

This paper reports computational studies of substrate water binding to the oxygen-evolving centre (OEC) of photosystem II (PSII), completely ligated by amino acid residues, water, hydroxide and chloride. The calculations are based on quantum mechanics/molecular mechanics hybrid models of the OEC of...

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Hlavní autoři: Sproviero, Eduardo M, Shinopoulos, Katherine, Gascón, José A, McEvoy, James P, Brudvig, Gary W, Batista, Victor S
Médium: Artigo
Jazyk:Inglês
Vydáno: The Royal Society 2007
Témata:
Research Article
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2614095/
https://ncbi.nlm.nih.gov/pubmed/17971333
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rstb.2007.2210
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