Ionic Coulomb blockade oscillations and the physical origins of permeation, selectivity, and their mutation transformations in biological ion channels
Lead Research Organisation:
University of Warwick
Department Name: Sch of Engineering
Abstract
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
People |
ORCID iD |
| Igor Khovanov (Principal Investigator) | |
| P Rodger (Co-Investigator) |
Publications
Gibby WAT
(2021)
Physics of Selective Conduction and Point Mutation in Biological Ion Channels.
in Physical review letters
Barabash M
(2021)
Origin and control of ionic hydration patterns in nanopores
in Communications Materials
Cosseddu SM
(2021)
Unraveling of a Strongly Correlated Dynamical Network of Residues Controlling the Permeation of Potassium in KcsA Ion Channel.
in Entropy (Basel, Switzerland)
Gibby WAT
(2021)
Application of a Statistical and Linear Response Theory to Multi-Ion Na+ Conduction in NaChBac.
in Entropy (Basel, Switzerland)
Barabash ML
(2021)
Field-Dependent Dehydration and Optimal Ionic Escape Paths for C2N Membranes.
in The journal of physical chemistry. B
Fedorenko OA
(2020)
Changes in Ion Selectivity Following the Asymmetrical Addition of Charge to the Selectivity Filter of Bacterial Sodium Channels.
in Entropy (Basel, Switzerland)
Guardiani C
(2019)
Exploring the pore charge dependence of K+ and Cl- permeation across a graphene monolayer: a molecular dynamics study.
in RSC advances
Guardiani C
(2019)
Different roles for aspartates and glutamates for cation permeation in bacterial sodium channels.
in Biochimica et biophysica acta. Biomembranes
Soskin S
(2019)
Mechanism of resonant enhancement of electron drift in nanometer semiconductor superlattices subjected to electric and inclined magnetic fields
in Physical Review B
Guardiani C
(2017)
On the selectivity of the NaChBac channel: an integrated computational and experimental analysis of sodium and calcium permeation.
in Physical chemistry chemical physics : PCCP
Guardiani C
(2017)
Sodium Binding Sites and Permeation Mechanism in the NaChBac Channel: A Molecular Dynamics Study.
in Journal of chemical theory and computation
| Description | Proposal for a Tier 2 Centre - HPC Midlands Plus |
| Amount | £3,200,000 (GBP) |
| Funding ID | EP/P020232/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 12/2016 |
| End | 06/2021 |
| Title | New computational structure of NaChBac ion channel |
| Description | A pore subdomain of NaChBac ion channel from Bacillus halodurans has been developed via homology modelling |
| Type Of Material | Computer model/algorithm |
| Year Produced | 2017 |
| Provided To Others? | Yes |
| Impact | Reseach community has been provided by a computational model which can be used for establishing links and understanding with a large volume of experimental data related to the NaChBac channel. |
| URL | http://wrap.warwick.ac.uk/84894 |
| Description | HPC Midland Plus Athena |
| Organisation | HPC Midlands Plus |
| Sector | Public |
| PI Contribution | Our research team has developed simulation framework for modelling ion channels and analyzing the outcome |
| Collaborator Contribution | The partner is providing infrastructure, resources and technical support for simulations |
| Impact | 2 papers has resulted from this collaboration |
| Start Year | 2017 |
| Description | Lancaster Theory and Experiment |
| Organisation | Lancaster University |
| Department | Department of Physics |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Warwick University contributed molecular dynamics simulations of the ion channels. Warwick and Lancaster each contributed expertise in stochastic nonlinear dynamics and analysis of experimental data. |
| Collaborator Contribution | Lancaster University mostly contributed expertise in the analytic theory of biological ion channels, coupled with Brownian dynamics simulations of the permeation process and conduct experimental investigation of permeation and selectivity in ion channels and their mutants. Lancaster and Warwick each contributed expertise in stochastic nonlinear dynamics. |
| Impact | Some 10 Lancaster/Warwick joint scientific papers have been published. the main impact of the joint work has been in scientific progress. |
| Start Year | 2015 |
| Description | Lancaster Theory and Experiment |
| Organisation | Lancaster University |
| Department | Division of Biomedical and Life Sciences |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Warwick University contributed molecular dynamics simulations of the ion channels. Warwick and Lancaster each contributed expertise in stochastic nonlinear dynamics and analysis of experimental data. |
| Collaborator Contribution | Lancaster University mostly contributed expertise in the analytic theory of biological ion channels, coupled with Brownian dynamics simulations of the permeation process and conduct experimental investigation of permeation and selectivity in ion channels and their mutants. Lancaster and Warwick each contributed expertise in stochastic nonlinear dynamics. |
| Impact | Some 10 Lancaster/Warwick joint scientific papers have been published. the main impact of the joint work has been in scientific progress. |
| Start Year | 2015 |