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LibDock protocol was used in further docking simulation.
Docking simulation was conducted to give binding patterns.
This paper illustrates the numerical methodology for AUV docking simulation.
The second step for docking simulation is the redock of crystallographic ligand to validate the process.
After that, our server performs a molecular docking simulation using GOLD and AutoDock Vina.
Docking simulation of FXa was performed using the protocol of GOLD.
On the other hand, molecular docking simulation study was performed by AutoDock-Vina software [43].
The results of the docking simulation are reported to the user via email.
Both prepared systems (protein and ligand) were introduced for molecular docking simulation.
Resolved crystal structure of BChE was used in molecular docking simulation studies.
The protein targets were prepared for molecular docking simulation by removing water molecules and bound ligands.
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