Again the highest scoring binding pocket (R=50) overlapped with the heme binding site.
However, without the lateral gate-pocket overlap regions, the electric field at the top of tunneling junctions does not increase significantly.
Figure 8a, b respectively shows the variations of transfer characteristics and on-state drain current with the length of gate-pocket overlap (L ov).
In order to clearly understand that gate-pocket overlap regions can improve the device performance, the electric fields of HTG-TFET with and without overlap in both the lateral and the vertical directions are shown in Fig. 6. Figure 6a reveals that gate-pocket overlap enhances the electric field at the top of tunneling junction.
In addition, the gate-pocket overlap in the lateral direction increases the electric field and tunneling area at the top of tunneling junction when the device is turned on.
The gate-pocket overlap regions enhance the gate fringe electric field at the top of tunneling junctions, so the significant bending of potential contour is produced at the top of tunneling junctions, which can be seen in Fig. 5c, d.
The simulation parameters of the proposed device are as follows: thickness of the N+ pocket is 5 nm (T p); height of the source regions and drain region is 40 nm (H s) and 20 nm (H d), respectively; length and height of the gate are 10 nm (L g) and 60 nm (H g), respectively; thickness of the gate oxide (HfO2) is 2 nm (T ox); length of gate-pocket overlap is 7 nm (L ov).
The S1, S2 and S4 binding pockets appear to be the most critical for substrate binding, the S2 and S4 subsites both forming particularly deep hydrophobic pockets which overlap and share residues [ 13, 26– 28, 31, 32].
We conclude that the BIR2 IBM-binding pocket of XIAP overlaps with the RIPK2 binding site.
The putative binding pocket of Edc3 overlapped with several YjeF_N domain containing proteins from several species, including those with demonstrated binding to NADP and NAD (Ling et al. 2008).
