computer modeling in molecular biology.pdf

6 Theory of Thansport in Ion Channels 163c.-10c..g 0.84c8 0.6c9)n4 0.4Ei= 0.2- w'0.-g obz-0.2d\ I1 I ,0 0.1 0.2 0.3 0.4t inpsFigure 6-8. Decomposition of the normalized time-dependent friction of Na+ ion,t(t)/[(O), calculated at the transition state (solid line). The water-water contributiont,, (t)/((O) (dashed line), the channel-channel (cc(t)/((0)(short-dashed line), and the waterchannelcross terms [(,(t) + (wc(t)]/((0) (dotted line) are also shown. The rootisequal to 483 kJ/mol/nm. The total friction calculated frommean-square force, v m,Eq. (6-33) corresponds to a diffusion constant of 0.64 x lop5 cm2/s, i. e., less than one thirdof the experimental diffusion constant of Na+ in bulk water [l]; with (, TCc and [(,(t) +