(Q34187266)

31 July 2017

Studies of proton translocations in biological systems: simulating proton transport in carbonic anhydrase by EVB-based models (English)

1 reference

31 July 2017

3

Arieh Warshel

1 reference

31 July 2017

Sonja Braun-Sand

1

1 reference

PubMed ID

15454425

31 July 2017

Marek Strajbl

series ordinal

2

1 reference

PubMed ID

15454425

31 July 2017

language of work or name

English

0 references

publication date

1 October 2004

1 reference

31 July 2017

1 reference

31 July 2017

87

1 reference

31 July 2017

4

1 reference

31 July 2017

2221-2239

1 reference

What really prevents proton transport through aquaporin? Charge self-energy versus proton wire proposals

31 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Structure/function correlations of proteins using MM, QM/MM, and related approaches: methods, concepts, pitfalls, and current progress

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Electrostatic Tuning of Permeation and Selectivity in Aquaporin Water Channels

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Coupling of phosphorylation to electron and hydrogen transfer by a chemi-osmotic type of mechanism

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Voltage-gated proton channels and other proton transfer pathways

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Computer simulations of enzyme catalysis: methods, progress, and insights

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Molecular mechanism of H+ conduction in the single-file water chain of the gramicidin channel

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Water transporters: how so fast yet so selective?

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Dynamics of biochemical and biophysical reactions: insight from computer simulations

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Dynamic mechanisms of the membrane water channel aquaporin-1 (AQP1)

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Hydride transfer in liver alcohol dehydrogenase: quantum dynamics, kinetic isotope effects, and role of enzyme motion

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Membrane proteins: Aquaporins--channels without ions.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Structural determinants of water permeation through aquaporin-1

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Crystal structure of S-glutathiolated carbonic anhydrase III

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Atomic resolution structures of bacteriorhodopsin photocycle intermediates: the role of discrete water molecules in the function of this light-driven ion pump

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Quantum-dynamical picture of a multistep enzymatic process: reaction catalyzed by phospholipase A(2).

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Structural alterations for proton translocation in the M state of wild-type bacteriorhodopsin

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Helix deformation is coupled to vectorial proton transport in the photocycle of bacteriorhodopsin

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Marcus rate theory applied to enzymatic proton transfer

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Structure of bacteriorhodopsin at 1.55 A resolution

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Simulating proton translocations in proteins: probing proton transfer pathways in the Rhodobacter sphaeroides reaction center

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Solution structure of the transmembrane H+-transporting subunit c of the F1F0 ATP synthase

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Redox-coupled crystal structural changes in bovine heart cytochrome c oxidase

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

The coupling of electron transfer and proton translocation: electrostatic calculations on Paracoccus denitrificans cytochrome c oxidase

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Structure at 2.7 A resolution of the Paracoccus denitrificans two-subunit cytochrome c oxidase complexed with an antibody FV fragment

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Proton transport across transient single-file water pores in a lipid membrane studied by molecular dynamics simulations

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Calculated coupling of electron and proton transfer in the photosynthetic reaction center of Rhodopseudomonas viridis

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Rate-equilibria relationships in intramolecular proton transfer in human carbonic anhydrase III

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Structure of the photosynthetic reaction centre from Rhodobacter sphaeroides at 2.65 A resolution: cofactors and protein-cofactor interactions

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Dynamics of enzymatic reactions

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Evaluation of catalytic free energies in genetically modified proteins

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Proton transfer in reaction centers from photosynthetic bacteria

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Computer simulation of the initial proton transfer step in human carbonic anhydrase I

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Conversion of light energy to electrostatic energy in the proton pump of Halobacterium halobium

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Molecular mechanisms for proton transport in membranes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

The mechanism of proton exclusion in aquaporin channels

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

The catalytic power of ketosteroid isomerase investigated by computer simulation

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

The problem of proton transfer in membranes.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

How water molecules pass through aquaporins

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Calculations of enzymatic reactions: calculations of pKa, proton transfer reactions, and general acid catalysis reactions in enzymes.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1304648

Proton translocation by bacteriorhodopsin and heme-copper oxidases

28 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/15454425

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Bioinformatics. Reality simulation--observe while it happens

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/15454425

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The Mechanism of Proton Exclusion in the Aquaporin-1 Water Channel

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/15454425

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Compact parameter set for fast estimation of proton transfer rates

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1529/BIOPHYSJ.104.043257

Climatic impact of tropical lowland deforestation on nearby montane cloud forests

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1529/BIOPHYSJ.104.043257

Application of the Method of Generating Function to Radiative and Non-Radiative Transitions of a Trapped Electron in a Crystal

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1529/BIOPHYSJ.104.043257

Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1529/BIOPHYSJ.104.043257

Chemical and Electrochemical Electron-Transfer Theory

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1529/BIOPHYSJ.104.043257

The catalytic mechanism of carbonic anhydrase: implications of a rate-limiting protolysis of water

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1529/BIOPHYSJ.104.043257

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1529/BIOPHYSJ.104.043257

The Grotthuss mechanism

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1529/BIOPHYSJ.104.043257

Identifiers

DOI

10.1529/BIOPHYSJ.104.043257

1 reference

31 July 2017

1 reference

31 July 2017

1 reference

PubMed ID

15454425