The distance between a point in space, i.e., a cation candidate for a cation-π interaction and the indole (see below), is defined relative to the indole plane as a projection of the distance vector d onto the indole plane, yielding the projected distance r and the height h, the ...
The computed rate constants at the M06-2X (A) and CBS-QB3 (B) methods are fitted in the non-Arrhenius rate equation and depicted in Fig.4. The following expressions are extracted in the 300–3000 K temperature range. $$k_{1A} = 3.69 \times 10^{ - 14} \left( \frac{T}{300} ...
For radial diffusion the distance between the main and secondary peak was 0.68 ± 0.04 µm (n = 4). Both values are in accord with the theoretical estimate of 2πro = 0.63 µm for the experimental conditions used....
(53). The dissociation constant (KD) can be estimated from the changes in chemical shifts of the 15N-labeled protein (P) caused by the addition of the unlabeled binding partner (L), by fitting the chemical shift changes to the following equation for a two-state model in fast exchange,(Eq...
(cf. Table3). We next calculate the root mean square normal distance (RMSND) for all DC and NC pixels from the lumen-tissue interface, showing that the closer the DC and NC components are to the interface, the smaller the values of RMSND. Figure8a,b,c depict the dependence of tissue...
Even in the free stream that lies at some distance from a vehicle, one finds strong aerodynamic heating along with shock waves and the dissociation, recombination, and chemical reaction of air molecules. Flow along the aircraft surface adds a viscous boundary layer that undergoes shock impingement,...
since its strength is directly proportional to the inverse of the distance between them. The interaction will thus be observable already at large separations. Coulomb's law describes ion-ion interactions rather accurately. It is necessary, however, to keep in mind that the equation assumes that th...
in general the results using protocol 1 were superior to the results obtained using protocol 2. In addition, by using protocol 2, the COMBINE model was developed with q2values of 0.69 and SDEC values of 0.719 (a distance-dependent dielectric constant 3-PC model), which was not so good as...
Released Ca2+ ions diffuse towards a sensor at distance of 15 nm. (B) The PAP(t,r) computed using analytical approximation (red) and MC (blue). Full size image For a single VGCC located 15 nm from the sensor (Fig. 7A), in the presence of EFB, the calculated PAP(t,r) was ...
The distance of all of the experimental conditions (neutral, partial) for the hypothesis RDM was calculated using ‘1 - Pearson Correlation’64,65. The RDM was rescaled to dissimilarity values between 0 and 1 while considering shared ranks (equal ranks stayed equal) (Fig. 2b). The same ...