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Molecular Docking Description
Molecular docking is a computational technique used to predict the interaction between small molecules (ligands) and target proteins. It helps in understanding the binding mode, affinity, and stability of drug candidates.

Key Points:
✅ Predicts ligand-protein interactions for drug discovery
✅ Estimates binding energy and affinity to evaluate potential drug candidates
✅ Supports structure-based drug design (SBDD) for developing novel therapeutics
✅ Virtual screening of large compound libraries for hit identification
✅ Optimization of lead compounds for improved efficacy

Essential Resources for Molecular Docking:
🔹 PDB (Protein Data Bank): Source for protein structures
🔹 PubChem: Database for ligand molecules
🔹 MGTools & AutoDock Vina: Tools for molecular docking
🔹 PyMOL: Visualization software for analyzing PDB structures
🔹 Python: Used for scripting and automating docking workflows

1. AutoDock Vina – Download Link here
https://vina.scripps.edu/downloads/
2. MGLTools – Download Link here
https://ccsb.scripps.edu/mgltools/dow...
3. PyMOL – Download Link here
https://www.pymol.org/
4.PDB (Protein Data Bank)
https://www.rcsb.org/
5. PubChem
https://pubchem.ncbi.nlm.nih.gov/

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