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 (Q38263176)

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English	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	scientific article

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scholarly article

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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)

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Europe PubMed Central

PMC publication ID

1 September 2017

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inferred from title

Leonardo Guidoni

3

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author name string

Daniele Bovi

1

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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

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publication date

25 September 2013

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Europe PubMed Central

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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

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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

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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

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

21 January 2018

Structural and mechanistic investigations of photosystem II through computational methods.

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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

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

12 December 2020

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

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

12 December 2020

based on heuristic

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

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12 December 2020

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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

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

12 December 2020

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Electron transfer in photosystem II at cryogenic temperatures

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12 December 2020

based on heuristic

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

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12 December 2020

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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

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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

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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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