Insights of Molecular Docking in Autodock-Vina: A Practical Approach - Abstract
Computational techniques in drug discovery and vaccine prediction basically revolve around molecular docking to retrieve perfect interaction models for ligand and receptor. Binding energies can be obtained for perfectly interacting complexes. Many tools like DINC, PatchDockFiredock, and AutoDock-Vina are deployed to conduct molecular docking in various pipelines. Discovering drug and vaccine becomes facile due to use of advanced docking techniques. Also allow researchers to screen out possible models of interaction on the basis of atomic contact energy, binding energy, and global energy. This review article provides insights to use efficient approach for docking related investigations.