Adaptive Brownian dynamics for shape estimation of sodium ion channels.
Ion channels are protein macromolecules that form biological nanotubes across the membranes of living cells. Given many possible geometrical shapes of an ion channel, we propose a computational scheme of selecting the model that best replicates experimental observations, using adaptive Brownian dynamics simulations together with discrete optimization algorithms. Brownian dynamics simulations emulate the propagation of individual ions through the sodium channel nanotube at a femto time second time scale and Angstrom unit (10(-10) meter) spatial scale.
Krishnamurthy
Vikram
V
Department of Electrical and Computer Engineering, University of British Columbia, Vancouver V6T 1Z4, Canada.
Vora
Taira
T
Chung
Shin-Ho
SH
D003198:Computer Simulation; D004058:Diffusion; D008956:Models, Chemical; D008958:Models, Molecular; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D036103:Nanotechnology / Q000379:methods*; D010316:Particle Size; D010539:Permeability; D016062:Porosity; D011487:Protein Conformation; D015222:Sodium Channels / Q000737:chemistry* / Q000648:ultrastructure*; D013499:Surface Properties
D015222:Sodium Channels