Computer aided drug design assignment

  • How to perform computer-aided drug design?

    Steps or Process of Structure-Based CADD

    1. Determination of protein structure
    2. Comparative modeling
    3. Identification of binding pocket
    4. Scoring function
    5. Knowledge-based scoring
    6. Force-based scoring function
    7. Protein-ligand docking algorithms
    8. Virtual screening

  • CADD is a modern computational technique used in the drug discovery process to identify and develop a potential lead [10, 14, 15].
    Computer-aided drug design includes computational chemistry, molecular modeling, molecular design and rational drug design.
    CADD is being used to optimize identified leads.

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Computer aided drug design nptel assignment
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