2013
DOI: 10.1140/epjst/e2013-02040-9
|View full text |Cite
|
Sign up to set email alerts
|

Dynamics of ions in the selectivity filter of the KcsA channel

Abstract: Abstract. The statistical and dynamical properties of ions in the selectivity filter of the KcsA ion channel are considered on the basis of molecular dynamics (MD) simulations of the KcsA protein embedded in a lipid membrane surrounded by an ionic solution. A new approach to the derivation of a Brownian dynamics (BD) model of ion permeation through the filter is discussed, based on unbiased MD simulations. It is shown that depending on additional assumptions, ion's dynamics can be described either by under-dam… Show more

Help me understand this report
View preprint versions

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1

Citation Types

0
2
0

Year Published

2016
2016
2017
2017

Publication Types

Select...
1
1

Relationship

0
2

Authors

Journals

citations
Cited by 2 publications
(2 citation statements)
references
References 27 publications
0
2
0
Order By: Relevance
“…We performed a further validation of the optimized FF parameters by computing, for the 1.8 nm QD, the vibrational densities of states (vDOS), i.e. the power spectra of the velocity autocorrelation functions (VACF) . Again, we compared our FF parameters with those available in the literature (Rabani) and with ab initio MD results.…”
Section: Methodology and Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…We performed a further validation of the optimized FF parameters by computing, for the 1.8 nm QD, the vibrational densities of states (vDOS), i.e. the power spectra of the velocity autocorrelation functions (VACF) . Again, we compared our FF parameters with those available in the literature (Rabani) and with ab initio MD results.…”
Section: Methodology and Resultsmentioning
confidence: 99%
“…the power spectra of the velocity autocorrelation functions (VACF). 46 Again, we compared our FF parameters with those available in the literature (Rabani) and with ab initio MD results. Similarity among the different calculations is very high.…”
Section: Journal Of Chemical Theory and Computationmentioning
confidence: 99%