A primary reason for the intense interest in structural biology is the fact that knowledge of structure can elucidate macromolecular functions in living organisms. Sustained effort has resulted in an impressive arsenal of tools for determining the static
The 3-D structure used (pdb code 1UWH) was uploaded from the protein data bank (https://www.rcsb.org/structure/1UWH). (B) zoom from A showing interacting residues (blue sticks) with Sorafenib in the active site of b-Raf. Figure was constructed using the BIOVIA Discovery Studio software...
The target enzymes, EGFR, PI3K, and MAPK (ERK) were obtained using PDB IDs 4wkq, 5xgj, and 2zoq, respectively, from the Protein Data Bank (www.rcsb.org). Using the MOE’s automated rapid preparation order, they were readied and verified. With Amber10 Forcefield, the docking simulation...