Several techniques are employed in molecular modeling, including:
Molecular Dynamics (MD) Simulations: These are used to study the physical movements of atoms and molecules over time. Quantum Mechanics (QM): This technique provides a detailed understanding of the electronic structure of molecules. Docking Studies: These are used to predict how small molecules, such as drug candidates, bind to a target protein. Homology Modeling: This technique builds a 3D model of a protein based on its similarity to known structures.
