(Q33746942)

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Ion selectivity of alpha-hemolysin with beta-cyclodextrin adapter. II. Multi-ion effects studied with grand canonical Monte Carlo/Brownian dynamics simulations.

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scholarly article

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

Ion selectivity of alpha-hemolysin with beta-cyclodextrin adapter. II. Multi-ion effects studied with grand canonical Monte Carlo/Brownian dynamics simulations (English)

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

Monte Carlo method

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based on heuristic

inferred from title

D. Eric Walters

3

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

author name string

Bernhard Egwolf

1

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

Yun Luo

2

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

Benoît Roux

4

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

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publication date

1 March 2010

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18 January 2020

Journal of Physical Chemistry B

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

114

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

8

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Europe PubMed Central

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18 January 2020

2901-2909

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Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

All-atom empirical potential for molecular modeling and dynamics studies of proteins

1 reference

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CHARMM: the biomolecular simulation program

1 reference

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Structure and energetics of channel-forming protein-polysaccharide complexes inferred via computational statistical thermodynamics

1 reference

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Automatic atom type and bond type perception in molecular mechanical calculations

1 reference

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21 June 2018

Toward single molecule DNA sequencing: direct identification of ribonucleoside and deoxyribonucleoside 5'-monophosphates by using an engineered protein nanopore equipped with a molecular adapter

1 reference

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21 June 2018

Imaging alpha-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map

1 reference

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21 June 2018

Recognizing a single base in an individual DNA strand: a step toward DNA sequencing in nanopores

1 reference

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21 June 2018

Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory

1 reference

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21 June 2018

UCSF Chimera--a visualization system for exploratory research and analysis

1 reference

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21 June 2018

Development and testing of a general amber force field

1 reference

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21 June 2018

Electrostatic influence on ion transport through the alphaHL channel

1 reference

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21 June 2018

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation

1 reference

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21 June 2018

Prolonged residence time of a noncovalent molecular adapter, beta-cyclodextrin, within the lumen of mutant alpha-hemolysin pores

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2843906

21 June 2018

Stochastic sensors inspired by biology.

1 reference

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21 June 2018

Electrostatics of nanosystems: application to microtubules and the ribosome

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2843906

21 June 2018

Sequence-specific detection of individual DNA strands using engineered nanopores.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2843906

21 June 2018

Interaction of the noncovalent molecular adapter, beta-cyclodextrin, with the staphylococcal alpha-hemolysin pore.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2843906

21 June 2018

A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2843906

21 June 2018

Reversal of charge selectivity in transmembrane protein pores by using noncovalent molecular adapters

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2843906

21 June 2018

alpha-Hemolysin from Staphylococcus aureus: an archetype of beta-barrel, channel-forming toxins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2843906

21 June 2018

Influence of the membrane potential on the free energy of an intrinsic protein

1 reference

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21 June 2018

Structure of staphylococcal alpha-hemolysin, a heptameric transmembrane pore

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2843906

21 June 2018

Areas, volumes, packing and protein structure

1 reference

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21 June 2018

Protein nanopores with covalently attached molecular adapters.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2843906

30 October 2018

Stochastic study of the effect of ionic strength on noncovalent interactions in protein pores

1 reference

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Single-molecule covalent chemistry with spatially separated reactants

1 reference

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Kinetics of a three-step reaction observed at the single-molecule level

1 reference

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30 October 2018

Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory.

1 reference

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30 October 2018

Structure-based prediction of the conductance properties of ion channels

1 reference

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30 October 2018

Identifiers

10.1021/JP906791B

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Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

PMC publication ID

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

PubMed publication ID

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20146515%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

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