Single-channel current through nicotinic receptor produced by closure of binding site C-loop

HL Wang, R Toghraee, D Papke, XL Cheng… - Biophysical journal, 2009 - cell.com
We investigated the initial coupling of agonist binding to channel gating of the nicotinic
acetylcholine receptor using targeted molecular-dynamics (TMD) simulation. After TMD …

Simulation of charge transport in ion channels and nanopores with anisotropic permittivity

R Toghraee, RJ Mashl, KI Lee, E Jakobsson… - Journal of computational …, 2009 - Springer
Ion channels are part of nature's solution for regulating biological environments. Every ion
channel consists of a chain of amino acids carrying a strong and sharply varying permanent …

[图书][B] Nanoscale transport simulation of ion channels

R Toghraee - 2010 - search.proquest.com
Ion channels are part of nature's solution for regulating biological environments. Every ion
channel consists of a chain of amino acids carrying a strong and sharply varying permanent …

Function of the acetylcholine receptor at the atomic scale

HL Wang, SM Sine - Journal of Computational and Theoretical …, 2010 - ingentaconnect.com
The three fundamental steps underlying ion channel function comprise sensing of the
stimulus, transduction of the stimulus into a change in conductance state and selection of …

Simulation of Ion Conduction in α-Hemolysin Nanopores with Covalently Attached-Cyclodextrin Based on Boltzmann Transport Monte Carlo Model

R Toghraee, KI Lee, D Papke, SW Chiu… - … of computational and …, 2010 - ingentaconnect.com
Ion channels, as nature's solution to regulating biological environments, are particularly
interesting to device engineers seeking to understand how natural molecular systems …

Simulation of Ion permeation in biological membranes

R Toghraee, KI Lee, U Ravaioli - Computing in Science & …, 2010 - ieeexplore.ieee.org
As part of nature's solution for regulating biological environments, ion channels are
particularly interesting to device engineers seeking to understand how nanoscale molecular …

Simulation of nanoscale electronic systems

U Ravaioli - Advances in Computers, 2007 - Elsevier
As modern silicon integrated devices have reached nanometer scale, device simulation has
evolved to provide designers with physical tools that account for particle and quantum …