(Q46900923)

26 December 2017

title

Density-functional geometry optimization of the 150,000-atom photosystem-I trimer (English)

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26 December 2017

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4

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26 December 2017

Peter Canfield

object named as

Peter Canfield

series ordinal

1

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Noel Hush

series ordinal

3

object named as

Noel S Hush

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26 December 2017

2

Mats G Dahlbom

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26 December 2017

language of work or name

English

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publication date

1 January 2006

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26 December 2017

Journal of Chemical Physics

published in

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26 December 2017

volume

124

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26 December 2017

issue

2

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26 December 2017

page(s)

024301

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26 December 2017

Three-dimensional structure of cyanobacterial photosystem I at 2.5 A resolution

cites work

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Isolation and structural characterization of trimeric cyanobacterial photosystem I complex with the help of recombinant antibody fragments

21 January 2018

1 reference

Trimeric forms of the photosystem I reaction center complex pre-exist in the membranes of the cyanobacterium Spirulina platensis

21 January 2018

1 reference

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

21 January 2018

1 reference

A quantum chemical method for rapid optimization of protein structures.

21 January 2018

1 reference

Accurate and simple analytic representation of the electron-gas correlation energy

21 January 2018

1 reference

21 January 2018

The Protein Data Bank

1 reference

WHAT IF: a molecular modeling and drug design program

21 January 2018

1 reference

Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation

21 January 2018

1 reference

Optimizing the hydrogen-bond network in Poisson-Boltzmann equation-based pK(a) calculations.

21 January 2018

1 reference

An all atom force field for simulations of proteins and nucleic acids

21 January 2018

1 reference

Density functional and reduction potential calculations of Fe4S4 clusters.

21 January 2018

1 reference

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

21 January 2018

1 reference

FTIR spectroscopy of synechocystis 6803 mutants affected on the hydrogen bonds to the carbonyl groups of the PsaA chlorophyll of P700 supports an extensive delocalization of the charge in P700+.

21 January 2018

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Mechanisms for photosystems I and II.

21 January 2018

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Stereochemical quality of protein structure coordinates

21 January 2018

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Energy transfer in photosystem I of cyanobacteria Synechococcus elongatus: model study with structure-based semi-empirical Hamiltonian and experimental spectral density

21 January 2018

1 reference

Optimization of parameters for semiempirical methods I. Method

21 January 2018

1 reference

The SIESTA method forab initioorder-Nmaterials simulation

21 January 2018

1 reference

Accuracy of geometries: influence of basis set, exchange?correlation potential, inclusion of core electrons, and relativistic corrections

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2148956

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26 December 2017

PubMed ID

16422577

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26 December 2017