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| Core Capability | Typical Use | |-----------------|--------------| | | Building 3‑D models of enzymes, antibodies, or viral proteins | | Ligand docking & virtual screening | Identifying candidate small molecules that bind to a target | | Molecular dynamics (MD) simulations | Studying the motion of biomolecules over nanoseconds to microseconds | | Pharmacophore modeling | Defining the essential chemical features for activity | | Quantitative Structure‑Activity Relationship (QSAR) | Linking chemical structure to biological effect | | Visualization & analysis | Generating high‑quality graphics for publications and presentations |