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Permeation of ions across the potassium channel: Brownian dynamics studies.
The physical mechanisms underlying the transport of ions across a model potassium channel are described. The shape of the model channel corresponds closely to that deduced from crystallography. FromExpand
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Study of ionic currents across a model membrane channel using Brownian dynamics.
Brownian dynamics simulations have been carried out to study ionic currents flowing across a model membrane channel under various conditions. The model channel we use has a cylindrical transmembraneExpand
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Solutions of Poisson's equation in channel-like geometries
Electric forces play a key role in the conductance of ions in biological channels. Therefore, their correct treatment is very important in making physical models of ion channels. Here, we presentExpand
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Brownian dynamics study of ion transport in the vestibule of membrane channels.
Brownian dynamics simulations have been carried out to study the transport of ions in a vestibular geometry, which offers a more realistic shape for membrane channels than cylindrical tubes.Expand
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Reservoir boundaries in Brownian dynamics simulations of ion channels.
Brownian dynamics (BD) simulations provide a practical method for the calculation of ion channel conductance from a given structure. There has been much debate about the implementation of reservoirExpand
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Energy barrier presented to ions by the vestibule of the biological membrane channel.
The role of the vestibule in influencing the permeation of ions through biological ion channels is investigated. We derive analytical expressions for the electric potential satisfying Poisson'sExpand
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Analytical solutions of Poisson's equation for realistic geometrical shapes of membrane ion channels.
Analytical solutions of Poisson's equations satisfying the Dirichlet boundary conditions for a toroidal dielectric boundary are presented. The electric potential computed anywhere in the toroidalExpand
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Molecular and Brownian dynamics study of ion selectivity and conductivity in the potassium channel
We employ recently revealed structural information for the potassium channel in molecular and Brownian dynamics simulations to investigate the physical mechanisms involved in the transport of ionsExpand
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COMPUTER SIMULATION OF ION CONDUCTANCE IN MEMBRANE CHANNELS
We present a method for calculation of electric forces in biological channels, which facilitates microscopic modeling of ion transport in channels using computer simulation. The method is based onExpand
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Brownian dynamics theory for predicting internal and external blockages of tetraethylammonium in the KcsA potassium channel.
The theory of Brownian dynamics is used to model permeation and the blocking of KcsA potassium channels by tetraethylammonium (TEA). A novel Brownian dynamics simulation algorithm is implemented thatExpand
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