(Q45958022)

English

Frozen Density Functional Free Energy Simulations of Redox Proteins: Computational Studies of the Reduction Potential of Plastocyanin and Rusticyanin

scientific article published on April 30, 2003

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/12708852

Frozen Density Functional Free Energy Simulations of Redox Proteins: Computational Studies of the Reduction Potential of Plastocyanin and Rusticyanin (English)

1 reference

10.1021/JA0212157

https://api.crossref.org/works/10.1021/JA0212157

26 December 2023

computational biology

1 reference

based on heuristic

inferred from title

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A12708852

26 December 2023

interface and colloid science

1 reference

10.1021/JA0212157

https://api.crossref.org/works/10.1021/JA0212157

26 December 2023

1 reference

10.1021/JA0212157

https://api.crossref.org/works/10.1021/JA0212157

26 December 2023

3

object named as

Arieh Warshel

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

1

object named as

Mats H. M. Olsson

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A12708852

26 December 2023

author name string

Gongyi Hong

2

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/12708852

language of work or name

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publication date

1 April 2003

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/12708852

30 April 2003

1 reference

National Center for Biotechnology Information

PubMed publication ID

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=12708852

26 December 2023

full work available at URL

https://pubs.acs.org/doi/pdf/10.1021/ja0212157

1 reference

10.1021/JA0212157

https://api.crossref.org/works/10.1021/JA0212157

26 December 2023

Journal of the American Chemical Society

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/12708852

125

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/12708852

17

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/12708852

5025-5039

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/12708852

Control of the redox potential of cytochrome c and microscopic dielectric effects in proteins.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

What are the dielectric "constants" of proteins and how to validate electrostatic models?

1 reference

11 October 2022

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Simulating enzyme reactions: challenges and perspectives

1 reference

11 October 2022

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The effect of redox state on the folding free energy of azurin

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

An Experimental and Computational Study of the Electron Affinity of Boron Oxide

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Reduction potentials of blue and purple copper proteins in their unfolded states: a closer look at rack-induced coordination

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

NMR solution structure of Cu(I) rusticyanin from Thiobacillus ferrooxidans: structural basis for the extreme acid stability and redox potential

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

On the role of strain in blue copper proteins.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Electronic characterization of the oxidized state of the blue copper protein rusticyanin by 1H NMR: is the axial methionine the dominant influence for the high redox potential?

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Effect of the Asn52----Ile mutation on the redox potential of yeast cytochrome c. Theory and experiment

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Metalloenzymes: the entatic nature of their active sites

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Effects of folding on metalloprotein active sites

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

X-ray analysis and spectroscopic characterization of M121Q azurin. A copper site model for stellacyanin

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Multiple wavelength anomalous diffraction (MAD) crystal structure of rusticyanin: a highly oxidizing cupredoxin with extreme acid stability

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Quantum mechanical calculations on biological systems

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Rack-induced bonding in blue-copper proteins

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Calculation of free‐energy differences from computer simulations of initial and final states

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

A new molecular mechanics force field for the oxidized form of blue copper proteins.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Calculations of antibody-antigen interactions: microscopic and semi-microscopic evaluation of the free energies of binding of phosphorylcholine analogs to McPC603

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Protein Control of Redox Potentials of Ironminus signSulfur Proteins

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Folding and stability of helical proteins: carp myogen

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

The cupric geometry of blue copper proteins is not strained.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

The chemical biology of copper.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JA0212157

Annual Review of Physical Chemistry

4

53

505

author name string

Gao J.

publication date

2002

1 reference

10.1021/JA0212157

https://api.crossref.org/works/10.1021/JA0212157

26 December 2023

Accounts of Chemical Research

6

29

305

author name string

Gao J.

publication date

1996

1 reference

10.1021/JA0212157

https://api.crossref.org/works/10.1021/JA0212157

26 December 2023

Accounts of Chemical Research

8

32

911

author name string

Monard G.

publication date

1998

1 reference

10.1021/JA0212157

https://api.crossref.org/works/10.1021/JA0212157

26 December 2023

Journal of Chemical Physics

9

112

3492

author name string

Zhang Y.

publication date

2000

1 reference

10.1021/JA0212157

https://api.crossref.org/works/10.1021/JA0212157

26 December 2023

Journal of Molecular Biology

18

192

387

author name string

Guss J. M.

publication date

1986

1 reference

10.1021/JA0212157

https://api.crossref.org/works/10.1021/JA0212157

26 December 2023

Journal of Chemical Physics

48

93

8692

author name string

King G.

publication date

1990

1 reference

10.1021/JA0212157

https://api.crossref.org/works/10.1021/JA0212157

26 December 2023

Identifiers

10.1021/JA0212157

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/12708852

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/12708852

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