Exact(2)
Therefore, we focused on docking of ADP directly to the binding pocket where Lys23 is located.
In this result, most of pathways are around the docking site, which indicates that the functional site might be focused on docking site and the protein has no other pole for the interaction.
Similar(6)
Some papers focused on cross-docks design to reduce the transportation cost (Apte and Viswanathan 2000).
In some cases, when docking was focused on one of the two domains, some amino acid residues belonging to the other domain and the PBR were reached.
Further optimization studies focusing on the docking model of 15 in the active site of Chk1 revealed that 32bIC5050 = 2.8 nM) was a more potent inhibitor than UNC-01.
9 Recent studies have focused on PfATP6 structure, and docking simulations suggest a direct interaction between ARTs and PfATP6, possibly by hydrophobic interactions.
The docking study was conducted in three different forms: (a) the first docking (blind docking) centred on the midpoint of the p47phox segment (PDB code: 1NG2), (b) docking was focused on the amino acid residues belonging to SH3A domain and (c) docking was focused on the SH3B domain.
Since the goal is to use predictions in docking, and since bound docking has little biological relevance, we focused on the unbound forms for both prediction and docking.
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