Quantum dynamics in continuum for proton transport--generalized correlation (Q30455604)

11 August 2017

Quantum dynamics in continuum for proton transport--generalized correlation (English)

1 reference

11 August 2017

1 reference

Duan Chen

1

1 reference

11 August 2017

Guo-Wei Wei

series ordinal

2

1 reference

11 August 2017

language of work or name

English

0 references

publication date

1 April 2012

1 reference

Journal of Chemical Physics

11 August 2017

1 reference

11 August 2017

136

1 reference

11 August 2017

13

1 reference

11 August 2017

134109

1 reference

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

11 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Quantum Dynamics in Continuum for Proton Transport I: Basic Formulation

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Mean-field description of ionic size effects with nonuniform ionic sizes: a numerical approach

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Poisson-Boltzmann-Nernst-Planck model

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Second-order Poisson Nernst-Planck solver for ion channel transport

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Differential geometry based solvation model II: Lagrangian formulation

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Differential geometry based solvation model I: Eulerian formulation

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

MIBPB: A software package for electrostatic analysis

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Modeling and simulation of electronic structure, material interface and random doping in nano electronic devices

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Differential geometry based multiscale models

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Singular perturbation analysis of the steady-state Poisson-Nernst-Planck system: Applications to ion channels

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Theoretical and computational models of biological ion channels

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Exploration on regulating factors for proton transfer along hydrogen-bonded water chains

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Theory and simulation of proton-coupled electron transfer, hydrogen-atom transfer, and proton translocation in proteins

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

The role of the dielectric barrier in narrow biological channels: a novel composite approach to modeling single-channel currents

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Voltage-gated proton channels and other proton transfer pathways

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Recent advances in ion channel research

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Noncontact dipole effects on channel permeation. VI. 5F- and 6F-Trp gramicidin channel currents

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Continuum electrostatics fails to describe ion permeation in the gramicidin channel

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

A combined molecular dynamics and diffusion model of single proton conduction through gramicidin

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Three-dimensional Poisson-Nernst-Planck theory studies: influence of membrane electrostatics on gramicidin A channel conductance

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

The mechanism of the proton transfer: an outline

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Proton conduction in gramicidin A and in its dioxolane-linked dimer in different lipid bilayers

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Influence of a channel-forming peptide on energy barriers to ion permeation, viewed from a continuum dielectric perspective

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Gramicidin as an example of a single-filing ionic channel

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Molecular mechanisms for proton transport in membranes

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Ion flux through membrane channels--an enhanced algorithm for the Poisson-Nernst-Planck model

20 June 2018

1 reference

Calculated protein and proton motions coupled to electron transfer: electron transfer from QA- to QB in bacterial photosynthetic reaction centers.

21 January 2018

1 reference

Quantum molecular dynamics simulation of proton transfer in cytochrome c oxidase

21 January 2018

1 reference

Treatment of geometric singularities in implicit solvent models.

21 January 2018

1 reference

Treatment of charge singularities in implicit solvent models.

21 January 2018

1 reference

Realistic simulations of proton transport along the gramicidin channel: demonstrating the importance of solvation effects

21 January 2018

1 reference

Geometric and potential driving formation and evolution of biomolecular surfaces.

21 January 2018

1 reference

Minimal molecular surfaces and their applications.

21 January 2018

1 reference

Test of Poisson-Nernst-Planck theory in ion channels

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3331870

Confined water: a Mercedes-Benz model study

26 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22482542

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Nuclear quantum effects on an enzyme-catalyzed reaction with reaction path potential: proton transfer in triosephosphate isomerase

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22482542

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Simulating Proton Transport through a Simplified Model for Trans-Membrane Proteins

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22482542

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1063/1.3698598

1 reference

11 August 2017

1 reference

11 August 2017

PubMed publication ID

22482542

1 reference