(Q51591347)

7 April 2018

title

A microscopic model for gas diffusion dynamics in a [NiFe]-hydrogenase. (English)

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7 April 2018

author

Robert B. Best

series ordinal

2

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7 April 2018

Po-hung Wang

object named as

Po-hung Wang

series ordinal

1

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author name string

Jochen Blumberger

series ordinal

3

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7 April 2018

language of work or name

English

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publication date

14 March 2011

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7 April 2018

Physical Chemistry Chemical Physics

published in

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7 April 2018

volume

13

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7 April 2018

issue

17

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7 April 2018

page(s)

7708-7719

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7 April 2018

Occurrence, classification, and biological function of hydrogenases: an overview.

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Dynamic electrochemical investigations of hydrogen oxidation and production by enzymes and implications for future technology

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[FeFe]-hydrogenase-catalyzed H2 production in a photoelectrochemical biofuel cell

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How oxygen attacks [FeFe] hydrogenases from photosynthetic organisms

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A kinetic and thermodynamic understanding of O2 tolerance in [NiFe]-hydrogenases.

21 January 2018

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Electrochemical kinetic investigations of the reactions of [FeFe]-hydrogenases with carbon monoxide and oxygen: comparing the importance of gas tunnels and active-site electronic/redox effects

21 January 2018

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Experimental approaches to kinetics of gas diffusion in hydrogenase

21 January 2018

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Introduction of methionines in the gas channel makes [NiFe] hydrogenase aero-tolerant

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Simulation of the kinetics of ligand binding to a protein by molecular dynamics: geminate rebinding of nitric oxide to myoglobin.

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Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulations

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Imaging the migration pathways for O2, CO, NO, and Xe inside myoglobin

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O2 migration pathways are not conserved across proteins of a similar fold

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Atomic level computational identification of ligand migration pathways between solvent and binding site in myoglobin

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Mapping the network of pathways of CO diffusion in myoglobin

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Ligand diffusion in globins: simulations versus experiment

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Multiple pathways guide oxygen diffusion into flavoenzyme active sites

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On the oxygen reactivity of flavoprotein oxidases: an oxygen access tunnel and gate in brevibacterium sterolicum cholesterol oxidase.

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The Binding and Release of Oxygen and Hydrogen Peroxide Are Directed by a Hydrophobic Tunnel in Cholesterol Oxidase †

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The tunnel of acetyl-coenzyme a synthase/carbon monoxide dehydrogenase regulates delivery of CO to the active site

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Exploring Molecular Oxygen Pathways in Hansenula polymorpha Copper-containing Amine Oxidase

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Molecular dioxygen enters the active site of 12/15-lipoxygenase via dynamic oxygen access channels

21 January 2018

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Gas access to the active site of Ni-Fe hydrogenases probed by X-ray crystallography and molecular dynamics.

21 January 2018

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Molecular dynamics and experimental investigation of H(2) and O(2) diffusion in [Fe]-hydrogenase.

21 January 2018

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Finding gas diffusion pathways in proteins: application to O2 and H2 transport in CpI [FeFe]-hydrogenase and the role of packing defects

21 January 2018

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Pathways of H2 toward the active site of [NiFe]-hydrogenase

21 January 2018

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Multiscale simulation reveals multiple pathways for H2 and O2 transport in a [NiFe]-hydrogenase.

21 January 2018

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Transition path sampling: throwing ropes over rough mountain passes, in the dark.

21 January 2018

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Computing time scales from reaction coordinates by milestoning.

21 January 2018

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On the assumptions underlying milestoning

21 January 2018

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Coarse master equations for peptide folding dynamics.

21 January 2018

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Intrinsic rates and activation free energies from single-molecule pulling experiments.

21 January 2018

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Reactive flux and folding pathways in network models of coarse-grained protein dynamics

21 January 2018

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The missing term in effective pair potentials

21 January 2018

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21 January 2018

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Canonical sampling through velocity rescaling

21 January 2018

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Solvation free energies of amino acid side chain analogs for common molecular mechanics water models.

21 January 2018

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The Reaction of the Iron-Sulfur Protein Hydrogenase with Carbon Monoxide

21 January 2018

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Resolving the CO/CN ligand arrangement in CO-inactivated [FeFe] hydrogenase by first principles density functional theory calculations.

21 January 2018

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21 January 2018

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21 January 2018

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Molecular dynamics with coupling to an external bath

21 January 2018

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https://api.crossref.org/works/10.1039%2FC0CP02098B

21 January 2018

Identifiers

DOI

10.1039/C0CP02098B

1 reference

7 April 2018

1 reference

7 April 2018