Molecular Docking is a computational technique that predicts the binding affinity of ligands to receptor proteins.
Although it has potential uses in nutraceutical research, it has developed into a formidable tool for drug development.

Ligand To Protein Docking is a computational technique used to predict how a small molecule (ligand) binds to a target protein.
It is widely used in drug discovery, molecular biology, and nanotechnology to study molecular interactions and design potential therapeutics.

Protein To Protein Docking is a computational technique used to predict the interaction between two or more protein molecules. It is crucial in studying biological pathways, enzyme-substrate interactions, antigen-antibody binding, and drug discovery.

Ligand To Ligand Docking , also known as molecular complex docking or small molecule docking, is used to study interactions between two small molecules. This technique is crucial for understanding molecular recognition, self-assembly, and drug interactions. It is particularly useful in:

1- Supramolecular chemistry (host-guest interactions)
2- Drug-drug interactions
3- Nanotechnology and material science

DNA-molecule docking is a computational approach to predict and analyze how small molecules (e.g. drugs, ligands, nanoparticles) interact with DNA. it is crucial in:
1- Drug discovery (e.g., anticancer, antiviral, and antibiotic drugs)
2- Understanding DNA-binding proteins and small molecules
3- Gene regulation studies
4- Nanotechnology (DNA-based biosensors, nanocarriers)

Molecular Dynamics (MD) is a computational technique used to study the motion and interactions of atoms and molecules over time. It is widely applied in drug discovery, biomolecular simulations, materials science, and nanotechnology to explore:
1- Protein-ligand interactions
2- Protein folding and stability
3- Membrane dynamics
4- Nanomaterials behavior
5- Reaction mechanisms and thermodynamics

Molecular modeling is a computational approach used to simulate, visualize, and analyze molecular structures at different levels, from small molecules to complex biological systems. It plays a crucial role in drug discovery, protein engineering, nanotechnology, and materials science.

Applications of Molecular Modeling:
🔬 Drug Discovery & Virtual Screening – Predicting ligand-protein interactions.
🧬 Protein Engineering – Designing stable and functional proteins.
📦 Material Science – Modeling nanomaterials, polymers, and biomaterials.
⚛️ Quantum Chemistry – Exploring electronic structures and reaction pathways.
💡 Bioinformatics & Computational Biology – Understanding genetic mutations and structural biology.