(Q36315952)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21701719%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

title

Energetics and dynamics of proton transfer reactions along short water wires (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21701719%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

1

1 reference

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5 February 2020

Gerhard Hummer

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21701719%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

author name string

Ville R I Kaila

series ordinal

1

1 reference

13 August 2017

language of work or name

English

0 references

publication date

23 June 2011

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21701719%20AND%20SRC:MED&resulttype=core&format=json

Physical Chemistry Chemical Physics

5 February 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21701719%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

volume

13

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21701719%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

issue

29

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21701719%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

page(s)

13207-13215

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21701719%20AND%20SRC:MED&resulttype=core&format=json

Proton-coupled electron transfer in cytochrome oxidase.

5 February 2020

cites work

1 reference

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Theory of coupled electron and proton transfer reactions

30 September 2017

1 reference

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Artificial reaction coordinate "tunneling" in free-energy calculations: the catalytic reaction of RNase H.

30 September 2017

1 reference

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Mechanisms of proton transfer in proteins: localized charge transfer versus delocalized soliton transfer

30 September 2017

1 reference

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Dielectric relaxation of cytochrome c oxidase: Comparison of the microscopic and continuum models.

30 September 2017

1 reference

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Macroscopically ordered water in nanopores

30 September 2017

1 reference

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Special pair dance and partner selection: elementary steps in proton transport in liquid water

30 September 2017

1 reference

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Electrostatic basis for the unidirectionality of the primary proton transfer in cytochrome c oxidase.

30 September 2017

1 reference

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Glutamic acid 242 is a valve in the proton pump of cytochrome c oxidase.

30 September 2017

1 reference

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Redox-coupled proton pumping in cytochrome c oxidase: further insights from computer simulation

30 September 2017

1 reference

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Dynamic Stokes shift in green fluorescent protein variants

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Proton-coupled electron transfer

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Time-resolved ATR-FTIR spectroscopy of the oxygen reaction in the D124N mutant of cytochrome c oxidase from Paracoccus denitrificans

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Minimum energy pathways for proton transfer between adjacent sites exposed to water

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Storage of an excess proton in the hydrogen-bonded network of the d-pathway of cytochrome C oxidase: identification of a protonated water cluster

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Exploring the proton pump mechanism of cytochrome c oxidase in real time

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Chance and design--proton transfer in water, channels and bioenergetic proteins

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Effects of electric fields on proton transport through water chains

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Structure and chemistry of cytochrome P450.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Accurate description of van der Waals complexes by density functional theory including empirical corrections

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Dynamic water networks in cytochrome C oxidase from Paracoccus denitrificans investigated by molecular dynamics simulations

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Simulations of the large kinetic isotope effect and the temperature dependence of the hydrogen atom transfer in lipoxygenase

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Control of the selectivity of the aquaporin water channel family by global orientational tuning

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Water permeation across biological membranes: mechanism and dynamics of aquaporin-1 and GlpF.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Water conduction through the hydrophobic channel of a carbon nanotube

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Structural determinants of water permeation through aquaporin-1

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Marcus rate theory applied to enzymatic proton transfer

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

The catalytic pathway of cytochrome p450cam at atomic resolution

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Natural engineering principles of electron tunnelling in biological oxidation-reduction

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

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

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Density-functional exchange-energy approximation with correct asymptotic behavior

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Free energy profiles for H+ conduction along hydrogen-bonded chains of water molecules

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

VMD: visual molecular dynamics

30 September 2017

1 reference

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Structures of metal sites of oxidized bovine heart cytochrome c oxidase at 2.8 A.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Structure at 2.8 A resolution of cytochrome c oxidase from Paracoccus denitrificans

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Molecular mechanisms for proton transport in membranes

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Structure and dynamics of a proton wire: a theoretical study of H+ translocation along the single-file water chain in the gramicidin A channel

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

Nature of biological electron transfer

29 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3470879

29 June 2018

The Grotthuss mechanism

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

The nature of the hydrated excess proton in water

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Structural determinants of proton blockage in aquaporins

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Energiebänder der tunnelnden Überschuß-Protonen in flüssigen Säuren. Eine IR-spektroskopische Untersuchung der Natur der GruppierungenH5O2+

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Electron transfers in chemistry and biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Dynamical theory of proton tunneling transfer rates in solution: general formulation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Electric field and temperature effects on water in the narrow nonpolar pores of carbon nanotubes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

From transition paths to transition states and rate coefficients.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Semiempirical GGA-type density functional constructed with a long-range dispersion correction.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

What factors affect the regioselectivity of oxidation by cytochrome p450? A DFT study of allylic hydroxylation and double bond epoxidation in a model reaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Electronic structure calculations on workstation computers: The program system turbomole

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Water-gated mechanism of proton translocation by cytochrome c oxidase

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Protein side-chain motion and hydration in proton-transfer pathways. Results for cytochrome p450cam

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Climatic impact of tropical lowland deforestation on nearby montane cloud forests

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Functional hydration and conformational gating of proton uptake in cytochrome c oxidase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Dynamics of proton transfer in bacteriorhodopsin

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

On the role of water in intermolecular proton-transfer reactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Distance-dependent proton transfer along water wires connecting acid-base pairs.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Proton Transport through Water-Filled Carbon Nanotubes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Kinetics and Mechanism of Proton Transport across Membrane Nanopores

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

Bound water in the proton translocation mechanism of the haem-copper oxidases

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC1CP21112A

A computational study of ultrafast acid dissociation and acid-base neutralization reactions. II. The relationship between the coordination state of solvent molecules and concerted versus sequential acid dissociation

21 January 2018

1 reference

12 December 2020

A bond-order analysis of the mechanism for hydrated proton mobility in liquid water

1 reference

12 December 2020

Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids

1 reference

12 December 2020

Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: effect of geometry and tunneling on proton-transfer rate constants

1 reference

12 December 2020

Electron-tunneling pathways in proteins

1 reference

12 December 2020

Mechanism of Fast Proton Transport along One-Dimensional Water Chains Confined in Carbon Nanotubes

1 reference

12 December 2020

Memoir on the decomposition of water and of the bodies that it holds in solution by means of galvanic electricity. 1805

1 reference

12 December 2020

Identifiers

DOI

10.1039/C1CP21112A

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21701719%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21701719%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

PubMed publication ID

21701719

1 reference