Module VI

Molecular Docking Using Autodock 4.2

Assignment

  1. Dock the macromolecule 6Y2F with the compound ZINC58356695, ZINC58324401 and ZINC97527989 using Autodock v4.2. Report the best compound with its score and interaction profile.

  2. Write a small description of your understanding on the paper “Influence of V54M Mutation in Giant Muscle Protein Titin: A Computational Screening and Molecular Dynamics Approach”.

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