(Q38263176)

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The S2 state of the oxygen-evolving complex of photosystem II explored by QM/MM dynamics: spin surfaces and metastable states suggest a reaction path towards the S3 state

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

1 September 2017

The S2 state of the oxygen-evolving complex of photosystem II explored by QM/MM dynamics: spin surfaces and metastable states suggest a reaction path towards the S3 state (English)

1 reference

Europe PubMed Central

PMC publication ID

1 September 2017

1 reference

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inferred from title

Leonardo Guidoni

3

0 references

author name string

Daniele Bovi

1

1 reference

Europe PubMed Central

PMC publication ID

1 September 2017

Daniele Narzi

2

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Europe PubMed Central

PMC publication ID

1 September 2017

language of work or name

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publication date

25 September 2013

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Europe PubMed Central

PMC publication ID

1 September 2017

Angewandte Chemie International Edition

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52

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Europe PubMed Central

PMC publication ID

1 September 2017

45

1 reference

Europe PubMed Central

PMC publication ID

1 September 2017

11744-11749

1 reference

Europe PubMed Central

PMC publication ID

1 September 2017

Mechanism of tyrosine D oxidation in Photosystem II.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Biological water oxidation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Reflections on substrate water and dioxygen formation.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Mechanism of proton-coupled quinone reduction in Photosystem II.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Detection of the water-binding sites of the oxygen-evolving complex of Photosystem II using W-band 17O electron-electron double resonance-detected NMR spectroscopy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Recent developments in research on water oxidation by photosystem II.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Wireless solar water splitting using silicon-based semiconductors and earth-abundant catalysts

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Application of computational chemistry to understanding the structure and mechanism of the Mn catalytic site in photosystem II--a review

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Cyanobacterial photosystem II at 2.9-A resolution and the role of quinones, lipids, channels and chloride

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Photosynthetic energy conversion: natural and artificial

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Photosystem II: The machinery of photosynthetic water splitting

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

In situ formation of an oxygen-evolving catalyst in neutral water containing phosphate and Co2+.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Structural changes in the Mn4Ca cluster and the mechanism of photosynthetic water splitting

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

On the structure of the manganese complex of photosystem II: extended-range EXAFS data and specific atomic-resolution models for four S-states

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Electronic structure of the Mn4OxCa cluster in the S0 and S2 states of the oxygen-evolving complex of photosystem II based on pulse 55Mn-ENDOR and EPR spectroscopy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

EPR spectroscopy of the manganese cluster of photosystem II.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Eight steps preceding O-O bond formation in oxygenic photosynthesis--a basic reaction cycle of the Photosystem II manganese complex

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Water-splitting chemistry of photosystem II.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Where water is oxidized to dioxygen: structure of the photosynthetic Mn4Ca cluster

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Intermediates of a polynuclear manganese center involved in photosynthetic oxidation of water

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Towards complete cofactor arrangement in the 3.0 A resolution structure of photosystem II.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Crystal structure of photosystem II from Synechococcus elongatus at 3.8 A resolution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

X-ray spectroscopy-based structure of the Mn cluster and mechanism of photosynthetic oxygen evolution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Simulation of the S2 state multiline electron paramagnetic resonance signal of photosystem II: a multifrequency approach

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Cooperation of charges in photosynthetic O2 evolution-I. A linear four step mechanism

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Photosystem II, the water-splitting enzyme

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

6 September 2017

Convergence of QM/MM and Cluster Models for the Spectroscopic Properties of the Oxygen-Evolving Complex in Photosystem II.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

14 September 2017

The Origin of the Multiline and g = 4.1 Electron Paramagnetic Resonance Signals from the Oxygen-Evolving System of Photosystem II.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

28 September 2017

S1-state model of the O2-evolving complex of photosystem II

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

23 June 2018

Theoretical study of the multiline EPR signal from the S(2) state of the oxygen evolving complex of photosystem II: Evidence for a magnetic tetramer

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

23 June 2018

An Efficient Real Space Multigrid QM/MM Electrostatic Coupling.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

31 August 2018

Substrate water exchange for the oxygen evolving complex in PSII in the S1, S2, and S3 states

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

31 August 2018

Two interconvertible structures that explain the spectroscopic properties of the oxygen-evolving complex of photosystem II in the S2 state.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

31 August 2018

Oxygen-evolving Mn cluster in photosystem II: the protonation pattern and oxidation state in the high-resolution crystal structure

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

31 August 2018

Theoretical evaluation of structural models of the S2 state in the oxygen evolving complex of Photosystem II: protonation states and magnetic interactions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

31 August 2018

The electronic structures of the S(2) states of the oxygen-evolving complexes of photosystem II in plants and cyanobacteria in the presence and absence of methanol

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

31 August 2018

Structures and energetics for O2 formation in photosystem II.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

31 August 2018

Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

31 August 2018

Formation of split electron paramagnetic resonance signals in photosystem II suggests that tyrosine(Z) can be photooxidized at 5 K in the S0 and S1 states of the oxygen-evolving complex

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

31 August 2018

Effect of near-infrared light on the S2-state of the manganese complex of photosystem II from Synechococcus elongatus

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3952239

31 August 2018

Artificial photosynthesis as a frontier technology for energy sustainability

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201306667

21 January 2018

X-ray spectroscopy-based structure of the Mn cluster and mechanism of photosynthetic oxygen evolution 1 1We dedicate this review to the memory of Mel Klein, our colleague, collaborator, mentor, and dear friend

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201306667

21 January 2018

Structural and mechanistic investigations of photosystem II through computational methods.

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201306667

21 January 2018

An energetic comparison of different models for the oxygen evolving complex of photosystem II

1 reference

https://pubmed.ncbi.nlm.nih.gov/24115467

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Conversion of the spin state of the manganese complex in photosystem II induced by near-infrared light

1 reference

https://pubmed.ncbi.nlm.nih.gov/24115467

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Protonation states in a cobalt-oxide catalyst for water oxidation: fine comparison of ab initio molecular dynamics and X-ray absorption spectroscopy results

1 reference

https://pubmed.ncbi.nlm.nih.gov/24115467

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Monitoring water reactions during the S-state cycle of the photosynthetic water-oxidizing center: detection of the DOD bending vibrations by means of Fourier transform infrared spectroscopy

1 reference

https://pubmed.ncbi.nlm.nih.gov/24115467

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Electron transfer in photosystem II at cryogenic temperatures

1 reference

https://pubmed.ncbi.nlm.nih.gov/24115467

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High-spin states (S >/= 5/2) of the photosystem II manganese complex

1 reference

https://pubmed.ncbi.nlm.nih.gov/24115467

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Proton equilibria in the manganese cluster of photosystem II control the intensities of the S(0) and S(2) state g approximately 2 electron paramagnetic resonance signals

1 reference

https://pubmed.ncbi.nlm.nih.gov/24115467

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural models of the manganese complex of photosystem II and mechanistic implications

1 reference

https://pubmed.ncbi.nlm.nih.gov/24115467

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Mechanisms for proton release during water oxidation in the S2 to S3 and S3 to S4 transitions in photosystem II

1 reference

https://pubmed.ncbi.nlm.nih.gov/24115467

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Theoretical studies of O-O bond formation in photosystem II

1 reference

https://pubmed.ncbi.nlm.nih.gov/24115467

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1002/ANIE.201306667

1 reference

Europe PubMed Central

PMC publication ID

1 September 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

1 September 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

1 September 2017

ResearchGate publication ID

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