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2023
Designing a biomimetic graphene nanopore with valence selectivity between cations
Desalination
2023
Recent advances in computational studies on voltage‐gated sodium channels: Drug design and mechanism studies
WIREs Computational Molecular Science
2021
Direct proof of soft knock-on mechanism of ion permeation in a voltage gated sodium channel
International Journal of Biological Macromolecules
2021
S100β‐mediated astroglial control of firing and input processing in layer 5 pyramidal neurons of the mouse visual cortex
The Journal of Physiology
2020
Ca2+ entry through NaV channels generates submillisecond axonal Ca2+ signaling
eLife
2020
Atomistic insights into the effects of carbonyl oxygens in functionalized graphene nanopores on Ca2+/Na+ sieving
Carbon
2019
Mechanistic insights into the Orai channel by molecular dynamics simulations
Seminars in Cell & Developmental Biology
2019
Resonance-driven ion transport and selectivity in prokaryotic ion channels
Physical Review E
2019
The Oxford Handbook of Neuronal Ion Channels
2018
Molecular Dynamics of Ion Conduction through the Selectivity Filter of the NaVAb Sodium Channel
The Journal of Physical Chemistry B
2018
Role of the Interaction Motif in Maintaining the Open Gate of an Open Sodium Channel
Biophysical Journal
2018
Simulation of the effect of an external GHz electric field on the potential energy profile of Ca2+ ions in the selectivity filter of the CaVAb channel
Proteins: Structure, Function, and Bioinformatics
2017
Mechanisms of selective ion transport and salt rejection in carbon nanostructures
MRS Bulletin
2017
Modeling ion permeation through a bacterial voltage-gated calcium channel CaVAb using molecular dynamics simulations
Molecular BioSystems
2017
Computational Tools for Chemical Biology
2017
On the selectivity of the NaChBac channel: an integrated computational and experimental analysis of sodium and calcium permeation
Physical Chemistry Chemical Physics
2017
AIP Conference Proceedings
2017
Selective ion binding and transport by membrane proteins – A computational perspective
Coordination Chemistry Reviews
2017
Molecular dynamics study of ion transport through an open model of voltage-gated sodium channel
Biochimica et Biophysica Acta (BBA) - Biomembranes
2016
Current Topics in Membranes
2016
K+ Block Is the Mechanism of Functional Asymmetry in Bacterial Nav Channels
PLOS Computational Biology
2016
Computational Biophysics of Membrane Proteins
2016
Cooperation of Hydrophobic Gating, Knock-on Effect, and Ion Binding Determines Ion Selectivity in the p7 Channel
The Journal of Physical Chemistry B
2016
Current Topics in Membranes
2016
Putative resolution of the EEEE selectivity paradox in L-type Ca2+and bacterial Na+biological ion channels
Journal of Statistical Mechanics: Theory and Experiment
2015
Permeation and Dynamics of an Open-Activated TRPV1 Channel
Journal of Molecular Biology
2015
Coulomb blockade model of permeation and selectivity in biological ion channels
New Journal of Physics
2015
Molecular dynamics simulations for designing biomimetic pores based on internally functionalized self-assembling α,γ-peptide nanotubes
Physical Chemistry Chemical Physics
2014
Investigating the size and dynamics of voltage-gated sodium channel fenestrations
Channels
2014
Locating the Route of Entry and Binding Sites of Benzocaine and Phenytoin in a Bacterial Voltage Gated Sodium Channel
PLoS Computational Biology
2014
Effects of the Protonation State of the EEEE Motif of a Bacterial Na+-channel on Conduction and Pore Structure
Biophysical Journal
2014
Handbook of Experimental Pharmacology
2014
A mechanical nanogate based on a carbon nanotube for reversible control of ion conduction
Nanoscale
2014
Different Inward and Outward Conduction Mechanisms in NaVMs Suggested by Molecular Dynamics Simulations
PLoS Computational Biology
2013
K+ and Na+ Conduction in Selective and Nonselective Ion Channels Via Molecular Dynamics Simulations
Biophysical Journal
2013
The Mechanism of Na+/K+ Selectivity in Mammalian Voltage-Gated Sodium Channels Based on Molecular Dynamics Simulation
Biophysical Journal
2013
Detailed Examination of a Single Conduction Event in a Potassium Channel
The Journal of Physical Chemistry Letters
2013
Bioinspired Graphene Nanopores with Voltage-Tunable Ion Selectivity for Na+ and K+
ACS Nano
2013
Energetics of discrete selectivity bands and mutation-induced transitions in the calcium-sodium ion channels family
Physical Review E
2013
Catalysis of Na + permeation in the bacterial sodium channel Na V Ab
Proceedings of the National Academy of Sciences
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