Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface (Q30469983)

24 September 2017

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

1 reference

24 September 2017

1 reference

Duan Chen

1

1 reference

24 September 2017

Zhan Chen

series ordinal

2

1 reference

24 September 2017

Guo-Wei Wei

series ordinal

3

1 reference

24 September 2017

9 August 2011

1 reference

International Journal for Numerical Methods in Biomedical Engineering

24 September 2017

1 reference

24 September 2017

28

1 reference

24 September 2017

1

1 reference

24 September 2017

25-51

1 reference

maintained by WikiProject

24 September 2017

WikiProject Mathematics

0 references

cites work

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

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=3274368

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=3274368

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=3274368

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=3274368

Multiscale molecular dynamics using the matched interface and boundary method

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

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=3274368

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=3274368

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=3274368

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=3274368

Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume terms

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

Proton transfer in gramicidin water wires in phospholipid bilayers: attenuation by phosphoethanolamine

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

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=3274368

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=3274368

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=3274368

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=3274368

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=3274368

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=3274368

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=3274368

Conducting-state properties of the KcsA potassium channel from molecular and Brownian dynamics simulations.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

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=3274368

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=3274368

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

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=3274368

Permeation through an open channel: Poisson-Nernst-Planck theory of a synthetic 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=3274368

Reduced surface: an efficient way to compute molecular surfaces

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

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=3274368

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=3274368

Electrostatic interactions in macromolecules: theory and applications

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

Proton conductance by the gramicidin water wire. Model for proton conductance in the F1F0 ATPases?

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

Areas, volumes, packing and protein structure

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

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=3274368

Vectorial Chemistry and the Molecular Mechanics of Chemiosmotic Coupling: Power Transmission by Proticity

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3274368

Simulating the proton transfer in gramicidin A by a sequential dynamical Monte Carlo method.

20 June 2018

1 reference

A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions

21 January 2018

1 reference

Treatment of charge singularities in implicit solvent models.

21 January 2018

1 reference

Treatment of geometric 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

Minimal molecular surfaces and their applications.

21 January 2018

1 reference

Geometric and potential driving formation and evolution of biomolecular surfaces.

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/CNM.1458

1 reference

24 September 2017

1 reference

24 September 2017

PubMed publication ID

22328970

1 reference