The MoD-QM/MM methodology for structural refinement of photosystem II and other biological macromolecules. (Q34195445)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

review article

1 reference

title

The MoD-QM/MM methodology for structural refinement of photosystem II and other biological macromolecules (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

1 reference

1 reference

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

5

Gary W Brudvig

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

author name string

Eduardo M Sproviero

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

Michael B Newcomer

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

Enrique R Batista

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

Victor S Batista

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

publication date

1 November 2009

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

published in

Photosynthesis Research

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

volume

102

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

issue

2-3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

page(s)

455-470

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-Quadruplex

3 February 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Computational studies of the O(2)-evolving complex of photosystem II and biomimetic oxomanganese complexes

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulations

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

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

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

High-resolution structure of the photosynthetic Mn4Ca catalyst from X-ray spectroscopy.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Quantum mechanics/molecular mechanics structural models of the oxygen-evolving complex of photosystem II.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

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

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Computational studies of the primary phototransduction event in visual rhodopsin.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

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

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

High-resolution Mn EXAFS of the oxygen-evolving complex in photosystem II: structural implications for the Mn4Ca cluster

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Recent pulsed EPR studies of the photosystem II oxygen-evolving complex: implications as to water oxidation mechanisms

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Architecture of the photosynthetic oxygen-evolving center

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Structure of the manganese complex in photosystem II: insights from X-ray spectroscopy

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

The two substrate-water molecules are already bound to the oxygen-evolving complex in the S2 state of photosystem II.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Manganese Cluster in Photosynthesis: Where Plants Oxidize Water to Dioxygen

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Detection of one slowly exchanging substrate water molecule in the S3 state of photosystem II

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Photosynthetic water oxidation: towards a mechanism

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

The tetra-manganese complex of photosystem II during its redox cycle - X-ray absorption results and mechanistic implications.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

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

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Pulsed and parallel-polarization EPR characterization of the photosystem II oxygen-evolving complex

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Mechanism for photosynthetic O2 evolution

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Optimization of cutting schemes for the evaluation of molecular electrostatic potentials in proteins via Moving-Domain QM/MM.

28 July 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS11120-009-9467-6

A new quantum chemical approach to the magnetic properties of oligonuclear transition-metal complexes: application to a model for the tetranuclear manganese cluster of photosystem II.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

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

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Characterization of synthetic oxomanganese complexes and the inorganic core of the O2-evolving complex in photosystem II: evaluation of the DFT/B3LYP level of theory.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Structural and oxidation state changes of the photosystem II manganese complex in four transitions of the water oxidation cycle (S0 --> S1, S1 --> S2, S2 --> S3, and S3,4 --> S0) characterized by X-ray absorption spectroscopy at 20 K and room temper

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

Stoichiometry of proton release from the catalytic center in photosynthetic water oxidation. Reexamination by a glass electrode study at ph 5.5-7.2.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2954272

A functional model for O-O bond formation by the O2-evolving complex in photosystem II

28 October 2018

1 reference

12 December 2020

A Self-Consistent Space-Domain Decomposition Method for QM/MM Computations of Protein Electrostatic Potentials

1 reference

12 December 2020

(18)O isotope exchange measurements reveal that calcium is involved in the binding of one substrate-water molecule to the oxygen-evolving complex in photosystem II

1 reference

12 December 2020

Evidence for impaired hydrogen-bonding of tyrosine YZ in calcium-depleted photosystem II

1 reference

12 December 2020

QM/MM Models of the O2-Evolving Complex of Photosystem II

1 reference

12 December 2020

A metalloradical mechanism for the generation of oxygen from water in photosynthesis

1 reference

12 December 2020

Protonation and Dehydration Reactions of the Mn(4)O(4)L(6) Cubane and Synthesis and Crystal Structure of the Oxidized Cubane [Mn(4)O(4)L(6)](+): A Model for the Photosynthetic Water Oxidizing Complex

1 reference

12 December 2020

10.1007/S11120-009-9467-6

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

Dimensions Publication ID

3 February 2020

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19633920%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

PubMed publication ID

19633920

1 reference