molecular modeling

What Techniques Are Used in Molecular Modeling?

Several computational techniques are employed in molecular modeling, including:
Molecular Dynamics (MD): Simulates the physical movements of atoms and molecules over time.
Quantum Mechanics/Molecular Mechanics (QM/MM): Combines quantum mechanical and classical mechanical calculations for more accurate simulations.
Density Functional Theory (DFT): A quantum mechanical method used to investigate the electronic structure of many-body systems.
Monte Carlo Simulations: Uses random sampling to understand the physical and chemical properties of systems.

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